1-(3-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-5-carboxamide

Systemtic Name: 1-(3-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-5-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-1-(m-tolyl)benzimidazole-5-carboxamide CAS Name: 1-(3-methylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-5-benzimidazolecarboxamide IUPAC Name: 1-(3-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-5-carboxamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-1-(m-tolyl)benzimidazole-5-carboxamide Formula: C21H25N4O2+ MolecularWeight: 365.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=NC3=C2C=CC(=C3)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C=NC3=C2C=CC(=C3)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C21H24N4O2/c1-16-3-2-4-18(13-16)25-15-23-19-14-17(5-6-20(19)25)21(26)22-7-8-24-9-11-27-12-10-24/h2-6,13-15H,7-12H2,1H3,(H,22,26)/p+1