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

Systemtic Name: methyl 4-[[2-[3-(1,3-benzodioxol-5-ylcarbonylamino)-5-methyl-1H-pyrazol-2-ium-2-yl]benzimidazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[2-[3-(1,3-benzodioxole-5-carbonylamino)-5-methyl-1H-pyrazol-2-ium-2-yl]benzimidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-[3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5-methyl-1H-pyrazol-2-ium-2-yl]-1-benzimidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(1,3-benzodioxole-5-carbonylamino)-5-methyl-1H-pyrazol-2-ium-2-yl]benzimidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-[5-methyl-3-(piperonyloylamino)-1H-pyrazol-2-ium-2-yl]benzimidazol-1-yl]methyl]benzoic acid methyl ester Formula: C28H24N5O5+ MolecularWeight: 510.52066

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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)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC(=[N+](N1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)OC)NC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H23N5O5/c1-17-13-25(30-26(34)20-11-12-23-24(14-20)38-16-37-23)33(31-17)28-29-21-5-3-4-6-22(21)32(28)15-18-7-9-19(10-8-18)27(35)36-2/h3-14H,15-16H2,1-2H3,(H,30,31,34)/p+1