methyl 4-[[2-(3-acetamido-5-methyl-1H-pyrazol-2-ium-2-yl)benzimidazol-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[2-(3-acetamido-5-methyl-1H-pyrazol-2-ium-2-yl)benzimidazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[2-(3-acetamido-5-methyl-1H-pyrazol-2-ium-2-yl)benzimidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-(3-acetamido-5-methyl-1H-pyrazol-2-ium-2-yl)-1-benzimidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-acetamido-5-methyl-1H-pyrazol-2-ium-2-yl)benzimidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-(3-acetamido-5-methyl-1H-pyrazol-2-ium-2-yl)benzimidazol-1-yl]methyl]benzoic acid methyl ester Formula: C22H22N5O3+ MolecularWeight: 404.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=CC(=[N+](N1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)OC)NC(=O)C

InChI

InChI=1S/C22H21N5O3/c1-14-12-20(23-15(2)28)27(25-14)22-24-18-6-4-5-7-19(18)26(22)13-16-8-10-17(11-9-16)21(29)30-3/h4-12H,13H2,1-3H3,(H,23,25,28)/p+1