1-[5-imidazol-1-yl-1-(2-methoxy-6-methyl-phenyl)benzimidazol-1-ium-1-yl]-N-methyl-methanamine

Systemtic Name: 1-[5-imidazol-1-yl-1-(2-methoxy-6-methyl-phenyl)benzimidazol-1-ium-1-yl]-N-methyl-methanamine Openeye Name: 1-[5-imidazol-1-yl-1-(2-methoxy-6-methyl-phenyl)benzimidazol-1-ium-1-yl]-N-methyl-methanamine CAS Name: 1-[5-(1-imidazolyl)-1-(2-methoxy-6-methylphenyl)-1-benzimidazol-1-iumyl]-N-methylmethanamine IUPAC Name: 1-[5-imidazol-1-yl-1-(2-methoxy-6-methylphenyl)benzimidazol-1-ium-1-yl]-N-methylmethanamine Traditional Name: [5-imidazol-1-yl-1-(2-methoxy-6-methyl-phenyl)benzimidazol-1-ium-1-yl]methyl-methyl-amine Formula: C20H22N5O+ MolecularWeight: 348.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC)[N+]2(C=NC3=C2C=CC(=C3)N4C=CN=C4)CNC

Isomeric SMILES

CC1=C(C(=CC=C1)OC)[N+]2(C=NC3=C2C=CC(=C3)N4C=CN=C4)CNC

InChI

InChI=1S/C20H22N5O/c1-15-5-4-6-19(26-3)20(15)25(13-21-2)14-23-17-11-16(7-8-18(17)25)24-10-9-22-12-24/h4-12,14,21H,13H2,1-3H3/q+1