(2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(3-methylphenyl)methyl]-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(3-methylphenyl)methyl]-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-N-isopropyl-1-(m-tolylmethyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-1-[(3-methylphenyl)methyl]-N-propan-2-yl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(3-methylphenyl)methyl]-N-propan-2-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-N-isopropyl-1-(3-methylbenzyl)pyrrolidin-1-ium-2-carboxamide Formula: C23H29N4OS+ MolecularWeight: 409.56756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC(CC2C(=O)NC(C)C)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2C[C@H](C[C@H]2C(=O)NC(C)C)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H28N4OS/c1-15(2)24-22(28)21-12-18(14-27(21)13-17-8-6-7-16(3)11-17)29-23-25-19-9-4-5-10-20(19)26-23/h4-11,15,18,21H,12-14H2,1-3H3,(H,24,28)(H,25,26)/p+1/t18-,21-/m0/s1