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

Systemtic Name: 1,3-diethyl-5-(2-hydroxyethyl)-1-(3-methylphenyl)-3-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Openeye Name: 1,3-diethyl-5-(2-hydroxyethyl)-1-(m-tolyl)-3-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one CAS Name: 1,3-diethyl-5-(2-hydroxyethyl)-1-(3-methylphenyl)-3-(1H-pyrazol-4-yl)-2-benzimidazole-1,3-diiumone IUPAC Name: 1,3-diethyl-5-(2-hydroxyethyl)-1-(3-methylphenyl)-3-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Traditional Name: 1,3-diethyl-5-(2-hydroxyethyl)-1-(m-tolyl)-3-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Formula: C23H28N4O2+2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2/c1-4-26(19-8-6-7-17(3)13-19)21-10-9-18(11-12-28)14-22(21)27(5-2,23(26)29)20-15-24-25-16-20/h6-10,13-16,28H,4-5,11-12H2,1-3H3,(H,24,25)/q+2