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

Systemtic Name: 3-cyclobutyl-6-[3-(dimethylamino)propylamino]-1-methyl-1-(3-methylphenyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Openeye Name: 3-cyclobutyl-6-[3-(dimethylamino)propylamino]-1-methyl-1-(m-tolyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one CAS Name: 3-cyclobutyl-6-[3-(dimethylamino)propylamino]-1-methyl-1-(3-methylphenyl)-7-(1H-pyrazol-4-yl)-2-benzimidazol-1-iumone IUPAC Name: 3-cyclobutyl-6-[3-(dimethylamino)propylamino]-1-methyl-1-(3-methylphenyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Traditional Name: 3-cyclobutyl-6-[3-(dimethylamino)propylamino]-1-methyl-1-(m-tolyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Formula: C27H35N6O+ MolecularWeight: 459.6064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[N+]2(C3=C(C=CC(=C3C4=CNN=C4)NCCCN(C)C)N(C2=O)C5CCC5)C

Isomeric SMILES

CC1=CC(=CC=C1)[N+]2(C3=C(C=CC(=C3C4=CNN=C4)NCCCN(C)C)N(C2=O)C5CCC5)C

InChI

InChI=1S/C27H35N6O/c1-19-8-5-11-22(16-19)33(4)26-24(32(27(33)34)21-9-6-10-21)13-12-23(28-14-7-15-31(2)3)25(26)20-17-29-30-18-20/h5,8,11-13,16-18,21,28H,6-7,9-10,14-15H2,1-4H3,(H,29,30)/q+1