1-[3-(dimethylamino)propylamino]-1,3-dimethyl-6-(3-methylphenyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one

Systemtic Name: 1-[3-(dimethylamino)propylamino]-1,3-dimethyl-6-(3-methylphenyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Openeye Name: 1-[3-(dimethylamino)propylamino]-1,3-dimethyl-6-(m-tolyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one CAS Name: 1-[3-(dimethylamino)propylamino]-1,3-dimethyl-6-(3-methylphenyl)-7-(1H-pyrazol-4-yl)-2-benzimidazol-1-iumone IUPAC Name: 1-[3-(dimethylamino)propylamino]-1,3-dimethyl-6-(3-methylphenyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Traditional Name: 1-[3-(dimethylamino)propylamino]-1,3-dimethyl-6-(m-tolyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Formula: C24H31N6O+ MolecularWeight: 419.54254

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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)NCCCN(C)C)C)C4=CNN=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(C3=C(C=C2)N(C(=O)[N+]3(C)NCCCN(C)C)C)C4=CNN=C4

InChI

InChI=1S/C24H31N6O/c1-17-8-6-9-18(14-17)20-10-11-21-23(22(20)19-15-25-26-16-19)30(5,24(31)29(21)4)27-12-7-13-28(2)3/h6,8-11,14-16,27H,7,12-13H2,1-5H3,(H,25,26)/q+1