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

Systemtic Name: 1-(2-diethylaminoethylamino)-1,3-dimethyl-6-(3-methylphenyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Openeye Name: 1-(2-diethylaminoethylamino)-1,3-dimethyl-6-(m-tolyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one CAS Name: 1-(2-diethylaminoethylamino)-1,3-dimethyl-6-(3-methylphenyl)-7-(1H-pyrazol-4-yl)-2-benzimidazol-1-iumone IUPAC Name: 1-(2-diethylaminoethylamino)-1,3-dimethyl-6-(3-methylphenyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Traditional Name: 1-(2-diethylaminoethylamino)-1,3-dimethyl-6-(m-tolyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Formula: C25H33N6O+ MolecularWeight: 433.56912

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN[N+]1(C2=C(C=CC(=C2C3=CNN=C3)C4=CC(=CC=C4)C)N(C1=O)C)C

Isomeric SMILES

CCN(CC)CCN[N+]1(C2=C(C=CC(=C2C3=CNN=C3)C4=CC(=CC=C4)C)N(C1=O)C)C

InChI

InChI=1S/C25H33N6O/c1-6-30(7-2)14-13-28-31(5)24-22(29(4)25(31)32)12-11-21(19-10-8-9-18(3)15-19)23(24)20-16-26-27-17-20/h8-12,15-17,28H,6-7,13-14H2,1-5H3,(H,26,27)/q+1