3-(benzimidazol-1-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(benzimidazol-1-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(benzimidazol-1-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(1-benzimidazolyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(benzimidazol-1-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(benzimidazol-1-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCN3C=NC4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCN3C=NC4=CC=CC=C43

InChI

InChI=1S/C22H26N4O/c27-22(11-14-26-17-24-20-5-1-2-6-21(20)26)23-15-18-7-9-19(10-8-18)16-25-12-3-4-13-25/h1-2,5-10,17H,3-4,11-16H2,(H,23,27)/p+1