(2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(2-ethoxyphenyl)methyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(2-ethoxyphenyl)methyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(2-ethoxyphenyl)methyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-[(2-ethoxyphenyl)methyl]-N,N-dimethyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(2-ethoxyphenyl)methyl]-N,N-dimethylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-(2-ethoxybenzyl)-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CC(CC2C(=O)N(C)C)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2C[C@@H](C[C@H]2C(=O)N(C)C)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H28N4O2S/c1-4-29-21-12-8-5-9-16(21)14-27-15-17(13-20(27)22(28)26(2)3)30-23-24-18-10-6-7-11-19(18)25-23/h5-12,17,20H,4,13-15H2,1-3H3,(H,24,25)/p+1/t17-,20+/m1/s1