3,7-dimethyl-1-(3-methylphenyl)-1-(2-morpholin-4-ylethylamino)-6-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one

Systemtic Name: 3,7-dimethyl-1-(3-methylphenyl)-1-(2-morpholin-4-ylethylamino)-6-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Openeye Name: 3,7-dimethyl-1-(2-morpholinoethylamino)-1-(m-tolyl)-6-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one CAS Name: 3,7-dimethyl-1-(3-methylphenyl)-1-[2-(4-morpholinyl)ethylamino]-6-(1H-pyrazol-4-yl)-2-benzimidazol-1-iumone IUPAC Name: 3,7-dimethyl-1-(3-methylphenyl)-1-(2-morpholin-4-ylethylamino)-6-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Traditional Name: 3,7-dimethyl-1-(2-morpholinoethylamino)-1-(m-tolyl)-6-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Formula: C25H31N6O2+ MolecularWeight: 447.55264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[N+]2(C3=C(C=CC(=C3C)C4=CNN=C4)N(C2=O)C)NCCN5CCOCC5

Isomeric SMILES

CC1=CC(=CC=C1)[N+]2(C3=C(C=CC(=C3C)C4=CNN=C4)N(C2=O)C)NCCN5CCOCC5

InChI

InChI=1S/C25H31N6O2/c1-18-5-4-6-21(15-18)31(28-9-10-30-11-13-33-14-12-30)24-19(2)22(20-16-26-27-17-20)7-8-23(24)29(3)25(31)32/h4-8,15-17,28H,9-14H2,1-3H3,(H,26,27)/q+1