[3-methoxy-4-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]azanium

Systemtic Name: [3-methoxy-4-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]azanium Openeye Name: [4-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]ammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]azanium Traditional Name: [4-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]ammonium Formula: C21H34N4O3S+2 MolecularWeight: 422.58466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C[NH+](C)CC2=CC(=C(C=C2)OCC(C[NH+]3CCSCC3)O)OC

Isomeric SMILES

CC1=CC(=NN1)C[NH+](C)CC2=CC(=C(C=C2)OC[C@H](C[NH+]3CCSCC3)O)OC

InChI

InChI=1S/C21H32N4O3S/c1-16-10-18(23-22-16)13-24(2)12-17-4-5-20(21(11-17)27-3)28-15-19(26)14-25-6-8-29-9-7-25/h4-5,10-11,19,26H,6-9,12-15H2,1-3H3,(H,22,23)/p+2/t19-/m0/s1