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

Systemtic Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopropyl-1-[(4-ethoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopropyl-1-[(4-ethoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-N-cyclopropyl-1-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopropyl-1-[(4-ethoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-N-cyclopropyl-1-(4-ethoxybenzyl)pyrrolidin-1-ium-2-carboxamide Formula: C24H29N4O2S+ MolecularWeight: 437.57766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CC(CC2C(=O)NC3CC3)SC4=NC5=CC=CC=C5N4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2C[C@@H](C[C@H]2C(=O)NC3CC3)SC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H28N4O2S/c1-2-30-18-11-7-16(8-12-18)14-28-15-19(13-22(28)23(29)25-17-9-10-17)31-24-26-20-5-3-4-6-21(20)27-24/h3-8,11-12,17,19,22H,2,9-10,13-15H2,1H3,(H,25,29)(H,26,27)/p+1/t19-,22+/m1/s1