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

Systemtic Name: 1,3-diethyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)-4-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Openeye Name: 1,3-diethyl-1-(2-hydroxyethyl)-3-(m-tolyl)-4-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one CAS Name: 1,3-diethyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)-4-(1H-pyrazol-4-yl)-2-benzimidazole-1,3-diiumone IUPAC Name: 1,3-diethyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)-4-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Traditional Name: 1,3-diethyl-1-(2-hydroxyethyl)-3-(m-tolyl)-4-(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=CC=CC(=C2[N+](C1=O)(CC)C3=CC=CC(=C3)C)C4=CNN=C4)CCO

Isomeric SMILES

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

InChI

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