N-(benzimidazol-1-ylmethyl)-2-[1-(4-chlorophenyl)carbonylpyrrolidin-1-ium-1-yl]-2-oxidanyl-ethanamide

Systemtic Name: N-(benzimidazol-1-ylmethyl)-2-[1-(4-chlorophenyl)carbonylpyrrolidin-1-ium-1-yl]-2-oxidanyl-ethanamide Openeye Name: N-(benzimidazol-1-ylmethyl)-2-[1-(4-chlorobenzoyl)pyrrolidin-1-ium-1-yl]-2-hydroxy-acetamide CAS Name: N-(1-benzimidazolylmethyl)-2-[1-[(4-chlorophenyl)-oxomethyl]-1-pyrrolidin-1-iumyl]-2-hydroxyacetamide IUPAC Name: N-(benzimidazol-1-ylmethyl)-2-[1-(4-chlorobenzoyl)pyrrolidin-1-ium-1-yl]-2-hydroxyacetamide Traditional Name: N-(benzimidazol-1-ylmethyl)-2-[1-(4-chlorobenzoyl)pyrrolidin-1-ium-1-yl]-2-hydroxy-acetamide Formula: C21H22ClN4O3+ MolecularWeight: 413.87738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(C(C(=O)NCN2C=NC3=CC=CC=C32)O)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[N+](C1)(C(C(=O)NCN2C=NC3=CC=CC=C32)O)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4O3/c22-16-9-7-15(8-10-16)20(28)26(11-3-4-12-26)21(29)19(27)24-14-25-13-23-17-5-1-2-6-18(17)25/h1-2,5-10,13,21,29H,3-4,11-12,14H2/p+1