1,3-dimethyl-1-(3-methylphenyl)-5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-3-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one

Systemtic Name: 1,3-dimethyl-1-(3-methylphenyl)-5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-3-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Openeye Name: 1,3-dimethyl-5-(2-morpholino-2-oxo-ethyl)-1-(m-tolyl)-3-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one CAS Name: 1,3-dimethyl-1-(3-methylphenyl)-5-[2-(4-morpholinyl)-2-oxoethyl]-3-(1H-pyrazol-4-yl)-2-benzimidazole-1,3-diiumone IUPAC Name: 1,3-dimethyl-1-(3-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)-3-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Traditional Name: 5-(2-keto-2-morpholino-ethyl)-1,3-dimethyl-1-(m-tolyl)-3-(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=C(C=C3)CC(=O)N4CCOCC4)[N+](C2=O)(C)C5=CNN=C5)C

Isomeric SMILES

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

InChI

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