[4-methoxy-2-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]azanium

Systemtic Name: [4-methoxy-2-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]azanium Openeye Name: [2-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[2-[(1-methyl-2-imidazolyl)thio]ethyl]ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]azanium Traditional Name: [2-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-[2-[(1-methylimidazol-2-yl)thio]ethyl]ammonium Formula: C21H34N4O3S+2 MolecularWeight: 422.58466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC[NH2+]CC2=C(C=C(C=C2)OC)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

CN1C=CN=C1SCC[NH2+]CC2=C(C=C(C=C2)OC)OC[C@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C21H32N4O3S/c1-24-11-7-23-21(24)29-12-8-22-14-17-5-6-19(27-2)13-20(17)28-16-18(26)15-25-9-3-4-10-25/h5-7,11,13,18,22,26H,3-4,8-10,12,14-16H2,1-2H3/p+2/t18-/m0/s1