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

Systemtic Name: 1-(2-dimethylaminoethylamino)-1,3-diethyl-6-(3-methylphenyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Openeye Name: 1-(2-dimethylaminoethylamino)-1,3-diethyl-6-(m-tolyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one CAS Name: 1-(2-dimethylaminoethylamino)-1,3-diethyl-6-(3-methylphenyl)-7-(1H-pyrazol-4-yl)-2-benzimidazol-1-iumone IUPAC Name: 1-(2-dimethylaminoethylamino)-1,3-diethyl-6-(3-methylphenyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Traditional Name: 1-(2-dimethylaminoethylamino)-1,3-diethyl-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:

CCN1C2=C(C(=C(C=C2)C3=CC(=CC=C3)C)C4=CNN=C4)[N+](C1=O)(CC)NCCN(C)C

Isomeric SMILES

CCN1C2=C(C(=C(C=C2)C3=CC(=CC=C3)C)C4=CNN=C4)[N+](C1=O)(CC)NCCN(C)C

InChI

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