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

Systemtic Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N,N-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(4-isopropylphenyl)methyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-N,N-dimethyl-1-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N,N-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-(4-isopropylbenzyl)-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide Formula: C24H31N4OS+ MolecularWeight: 423.59414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CC(CC2C(=O)N(C)C)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2C[C@@H](C[C@H]2C(=O)N(C)C)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H30N4OS/c1-16(2)18-11-9-17(10-12-18)14-28-15-19(13-22(28)23(29)27(3)4)30-24-25-20-7-5-6-8-21(20)26-24/h5-12,16,19,22H,13-15H2,1-4H3,(H,25,26)/p+1/t19-,22+/m1/s1