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

Systemtic Name: 5-azanyl-1-cyclobutyl-1-(2-hydroxyethyl)-3-methyl-3-(3-methylphenyl)-4-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Openeye Name: 5-amino-1-cyclobutyl-1-(2-hydroxyethyl)-3-methyl-3-(m-tolyl)-4-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one CAS Name: 5-amino-1-cyclobutyl-1-(2-hydroxyethyl)-3-methyl-3-(3-methylphenyl)-4-(1H-pyrazol-4-yl)-2-benzimidazole-1,3-diiumone IUPAC Name: 5-amino-1-cyclobutyl-1-(2-hydroxyethyl)-3-methyl-3-(3-methylphenyl)-4-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Traditional Name: 5-amino-1-cyclobutyl-1-(2-hydroxyethyl)-3-methyl-3-(m-tolyl)-4-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Formula: C24H29N5O2+2 MolecularWeight: 419.51936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[N+]2(C3=C(C=CC(=C3C4=CNN=C4)N)[N+](C2=O)(CCO)C5CCC5)C

Isomeric SMILES

CC1=CC(=CC=C1)[N+]2(C3=C(C=CC(=C3C4=CNN=C4)N)[N+](C2=O)(CCO)C5CCC5)C

InChI

InChI=1S/C24H29N5O2/c1-16-5-3-8-19(13-16)28(2)23-21(10-9-20(25)22(23)17-14-26-27-15-17)29(11-12-30,24(28)31)18-6-4-7-18/h3,5,8-10,13-15,18,30H,4,6-7,11-12,25H2,1-2H3,(H,26,27)/q+2