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(4-methoxyphenyl)methyl (1S,8R)-8-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-methoxyimino-ethanoyl]amino]-4-[(E)-3-[2-(hydroxymethyl)-1-methyl-piperidin-1-ium-1-yl]prop-1-enyl]-7-oxidanylidene-2-thiabicyclo[4.2.0]oct-4-ene-5-carboxylate iodide

(4-methoxyphenyl)methyl (1S,8R)-8-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-methoxyimino-ethanoyl]amino]-4-[(E)-3-[2-(hydroxymethyl)-1-methyl-piperidin-1-ium-1-yl]prop-1-enyl]-7-oxidanylidene-2-thiabicyclo[4.2.0]oct-4-ene-5-carboxylate iodide

Systemtic Name:(4-methoxyphenyl)methyl (1S,8R)-8-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-methoxyimino-ethanoyl]amino]-4-[(E)-3-[2-(hydroxymethyl)-1-methyl-piperidin-1-ium-1-yl]prop-1-enyl]-7-oxidanylidene-2-thiabicyclo[4.2.0]oct-4-ene-5-carboxylate iodide
Openeye Name:(4-methoxyphenyl)methyl (1S,8R)-8-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyimino-acetyl]amino]-4-[(E)-3-[2-(hydroxymethyl)-1-methyl-piperidin-1-ium-1-yl]prop-1-enyl]-7-oxo-2-thiabicyclo[4.2.0]oct-4-ene-5-carboxylate iodide
CAS Name:(1S,8R)-8-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyimino-1-oxoethyl]amino]-4-[(E)-3-[2-(hydroxymethyl)-1-methyl-1-piperidin-1-iumyl]prop-1-enyl]-7-oxo-2-thiabicyclo[4.2.0]oct-4-ene-5-carboxylic acid (4-methoxyphenyl)methyl ester iodide
IUPAC Name:(4-methoxyphenyl)methyl (1S,8R)-8-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-4-[(E)-3-[2-(hydroxymethyl)-1-methylpiperidin-1-ium-1-yl]prop-1-enyl]-7-oxo-2-thiabicyclo[4.2.0]oct-4-ene-5-carboxylate iodide
Traditional Name:(1S,8R)-8-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyloximino-acetyl]amino]-7-keto-4-[(E)-3-(1-methyl-2-methylol-piperidin-1-ium-1-yl)prop-1-enyl]-2-thiabicyclo[4.2.0]oct-4-ene-5-carboxylic acid p-anisyl ester iodide
Formula: C31H39IN6O7S2
MolecularWeight: 798.71183
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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1CO)CC=CC2=C(C3C(C(C3=O)NC(=O)C(=NOC)C4=NSC(=N4)N)SC2)C(=O)OCC5=CC=C(C=C5)OC.[I-]


Isomeric SMILES

C[N+]1(CCCCC1CO)C/C=C/C2=C(C3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=NSC(=N4)N)SC2)C(=O)OCC5=CC=C(C=C5)OC.[I-]


InChI

InChI=1S/C31H38N6O7S2.HI/c1-37(13-5-4-8-20(37)15-38)14-6-7-19-17-45-27-23(22(19)30(41)44-16-18-9-11-21(42-2)12-10-18)26(39)24(27)33-29(40)25(35-43-3)28-34-31(32)46-36-28;/h6-7,9-12,20,23-24,27,38H,4-5,8,13-17H2,1-3H3,(H2-,32,33,34,36,40);1H/b7-6+,35-25-;/t20?,23?,24-,27+,37?;/m1./s1


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