1-(2,2-dimethoxyethylamino)-1,3-dimethyl-6-(3-methylphenyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one

Systemtic Name: 1-(2,2-dimethoxyethylamino)-1,3-dimethyl-6-(3-methylphenyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Openeye Name: 1-(2,2-dimethoxyethylamino)-1,3-dimethyl-6-(m-tolyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one CAS Name: 1-(2,2-dimethoxyethylamino)-1,3-dimethyl-6-(3-methylphenyl)-7-(1H-pyrazol-4-yl)-2-benzimidazol-1-iumone IUPAC Name: 1-(2,2-dimethoxyethylamino)-1,3-dimethyl-6-(3-methylphenyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Traditional Name: 1-(2,2-dimethoxyethylamino)-1,3-dimethyl-6-(m-tolyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Formula: C23H28N5O3+ MolecularWeight: 422.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(C3=C(C=C2)N(C(=O)[N+]3(C)NCC(OC)OC)C)C4=CNN=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(C3=C(C=C2)N(C(=O)[N+]3(C)NCC(OC)OC)C)C4=CNN=C4

InChI

InChI=1S/C23H28N5O3/c1-15-7-6-8-16(11-15)18-9-10-19-22(21(18)17-12-24-25-13-17)28(3,23(29)27(19)2)26-14-20(30-4)31-5/h6-13,20,26H,14H2,1-5H3,(H,24,25)/q+1