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

Systemtic Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-N-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-N-methyl-1-(m-tolylmethyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-N-methyl-1-[(3-methylphenyl)methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-N-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-N-methyl-1-(3-methylbenzyl)pyrrolidin-1-ium-2-carboxamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-14-6-5-7-15(10-14)12-25-13-16(11-19(25)20(26)22-2)27-21-23-17-8-3-4-9-18(17)24-21/h3-10,16,19H,11-13H2,1-2H3,(H,22,26)(H,23,24)/p+1/t16-,19-/m0/s1