4-methyl-N-[3-(2-pyrrolidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium-2-yl]benzamide

Systemtic Name: 4-methyl-N-[3-(2-pyrrolidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium-2-yl]benzamide Openeye Name: 4-methyl-N-[3-(2-pyrrolidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium-2-yl]benzamide CAS Name: 4-methyl-N-[3-[2-(1-pyrrolidin-1-iumyl)ethyl]-1H-benzimidazol-3-ium-2-yl]benzamide IUPAC Name: 4-methyl-N-[3-(2-pyrrolidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium-2-yl]benzamide Traditional Name: 4-methyl-N-[3-(2-pyrrolidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium-2-yl]benzamide Formula: C21H26N4O+2 MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=[N+](C3=CC=CC=C3N2)CC[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=[N+](C3=CC=CC=C3N2)CC[NH+]4CCCC4

InChI

InChI=1S/C21H24N4O/c1-16-8-10-17(11-9-16)20(26)23-21-22-18-6-2-3-7-19(18)25(21)15-14-24-12-4-5-13-24/h2-3,6-11H,4-5,12-15H2,1H3,(H,22,23,26)/p+2