1-(2-azanylethyl)-7-(1H-imidazol-5-yl)-1,3-dimethyl-6-(3-methylphenyl)benzimidazol-1-ium-2-one

Systemtic Name: 1-(2-azanylethyl)-7-(1H-imidazol-5-yl)-1,3-dimethyl-6-(3-methylphenyl)benzimidazol-1-ium-2-one Openeye Name: 1-(2-aminoethyl)-7-(1H-imidazol-5-yl)-1,3-dimethyl-6-(m-tolyl)benzimidazol-1-ium-2-one CAS Name: 1-(2-aminoethyl)-7-(1H-imidazol-5-yl)-1,3-dimethyl-6-(3-methylphenyl)-2-benzimidazol-1-iumone IUPAC Name: 1-(2-aminoethyl)-7-(1H-imidazol-5-yl)-1,3-dimethyl-6-(3-methylphenyl)benzimidazol-1-ium-2-one Traditional Name: 1-(2-aminoethyl)-7-(1H-imidazol-5-yl)-1,3-dimethyl-6-(m-tolyl)benzimidazol-1-ium-2-one Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(C3=C(C=C2)N(C(=O)[N+]3(C)CCN)C)C4=CN=CN4

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(C3=C(C=C2)N(C(=O)[N+]3(C)CCN)C)C4=CN=CN4

InChI

InChI=1S/C21H24N5O/c1-14-5-4-6-15(11-14)16-7-8-18-20(19(16)17-12-23-13-24-17)26(3,10-9-22)21(27)25(18)2/h4-8,11-13H,9-10,22H2,1-3H3,(H,23,24)/q+1