(2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(2,5-dimethylphenyl)methyl]-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(2,5-dimethylphenyl)methyl]-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(2,5-dimethylphenyl)methyl]-N-isopropyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-1-[(2,5-dimethylphenyl)methyl]-N-propan-2-yl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(2,5-dimethylphenyl)methyl]-N-propan-2-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-1-(2,5-dimethylbenzyl)-N-isopropyl-pyrrolidin-1-ium-2-carboxamide Formula: C24H31N4OS+ MolecularWeight: 423.59414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4OS/c1-15(2)25-23(29)22-12-19(30-24-26-20-7-5-6-8-21(20)27-24)14-28(22)13-18-11-16(3)9-10-17(18)4/h5-11,15,19,22H,12-14H2,1-4H3,(H,25,29)(H,26,27)/p+1/t19-,22-/m0/s1