2-(1-propylbenzimidazol-2-yl)sulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(1-propylbenzimidazol-2-yl)sulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(1-propylbenzimidazol-2-yl)sulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(1-propyl-2-benzimidazolyl)thio]-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(1-propylbenzimidazol-2-yl)sulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(1-propylbenzimidazol-2-yl)thio]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C24H31N4OS+ MolecularWeight: 423.59414

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C24H30N4OS/c1-2-13-28-22-8-4-3-7-21(22)26-24(28)30-18-23(29)25-16-19-9-11-20(12-10-19)17-27-14-5-6-15-27/h3-4,7-12H,2,5-6,13-18H2,1H3,(H,25,29)/p+1