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

Systemtic Name: 1-(2-diethylaminoethylamino)-1,3-dimethyl-6-phenyl-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Openeye Name: 1-(2-diethylaminoethylamino)-1,3-dimethyl-6-phenyl-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one CAS Name: 1-(2-diethylaminoethylamino)-1,3-dimethyl-6-phenyl-7-(1H-pyrazol-4-yl)-2-benzimidazol-1-iumone IUPAC Name: 1-(2-diethylaminoethylamino)-1,3-dimethyl-6-phenyl-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Traditional Name: 1-(2-diethylaminoethylamino)-1,3-dimethyl-6-phenyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N6O/c1-5-29(6-2)15-14-27-30(4)23-21(28(3)24(30)31)13-12-20(18-10-8-7-9-11-18)22(23)19-16-25-26-17-19/h7-13,16-17,27H,5-6,14-15H2,1-4H3,(H,25,26)/q+1