1,3-dimethyl-3-(3-methylphenyl)-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-4-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one

Systemtic Name: 1,3-dimethyl-3-(3-methylphenyl)-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-4-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Openeye Name: 1,3-dimethyl-1-(2-morpholino-2-oxo-ethyl)-3-(m-tolyl)-4-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one CAS Name: 1,3-dimethyl-3-(3-methylphenyl)-1-[2-(4-morpholinyl)-2-oxoethyl]-4-(1H-pyrazol-4-yl)-2-benzimidazole-1,3-diiumone IUPAC Name: 1,3-dimethyl-3-(3-methylphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Traditional Name: 1-(2-keto-2-morpholino-ethyl)-1,3-dimethyl-3-(m-tolyl)-4-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Formula: C25H29N5O3+2 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[N+]2(C3=C(C=CC=C3[N+](C2=O)(C)CC(=O)N4CCOCC4)C5=CNN=C5)C

Isomeric SMILES

CC1=CC(=CC=C1)[N+]2(C3=C(C=CC=C3[N+](C2=O)(C)CC(=O)N4CCOCC4)C5=CNN=C5)C

InChI

InChI=1S/C25H29N5O3/c1-18-6-4-7-20(14-18)30(3)24-21(19-15-26-27-16-19)8-5-9-22(24)29(2,25(30)32)17-23(31)28-10-12-33-13-11-28/h4-9,14-16H,10-13,17H2,1-3H3,(H,26,27)/q+2