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

Systemtic Name: 1,3-diethyl-1-(3-methylphenyl)-5-(2-oxidanylidene-2-piperazin-1-yl-ethyl)-3-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Openeye Name: 1,3-diethyl-1-(m-tolyl)-5-(2-oxo-2-piperazin-1-yl-ethyl)-3-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one CAS Name: 1,3-diethyl-1-(3-methylphenyl)-5-[2-oxo-2-(1-piperazinyl)ethyl]-3-(1H-pyrazol-4-yl)-2-benzimidazole-1,3-diiumone IUPAC Name: 1,3-diethyl-1-(3-methylphenyl)-5-(2-oxo-2-piperazin-1-ylethyl)-3-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Traditional Name: 1,3-diethyl-5-(2-keto-2-piperazino-ethyl)-1-(m-tolyl)-3-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Formula: C27H34N6O2+2 MolecularWeight: 474.59786

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=C(C=C(C=C2)CC(=O)N3CCNCC3)[N+](C1=O)(CC)C4=CNN=C4)C5=CC=CC(=C5)C

Isomeric SMILES

CC[N+]1(C2=C(C=C(C=C2)CC(=O)N3CCNCC3)[N+](C1=O)(CC)C4=CNN=C4)C5=CC=CC(=C5)C

InChI

InChI=1S/C27H34N6O2/c1-4-32(22-8-6-7-20(3)15-22)24-10-9-21(17-26(34)31-13-11-28-12-14-31)16-25(24)33(5-2,27(32)35)23-18-29-30-19-23/h6-10,15-16,18-19,28H,4-5,11-14,17H2,1-3H3,(H,29,30)/q+2