[4-[4-[[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]carbamoyl]phenyl]phenyl] ethanoate

Systemtic Name: [4-[4-[[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]carbamoyl]phenyl]phenyl] ethanoate Openeye Name: [4-[4-[[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]carbamoyl]phenyl]phenyl] acetate CAS Name: acetic acid [4-[4-[[[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]amino]-oxomethyl]phenyl]phenyl] ester IUPAC Name: [4-[4-[[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]carbamoyl]phenyl]phenyl] acetate Traditional Name: acetic acid [4-[4-[[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]carbamoyl]phenyl]phenyl] ester Formula: C26H22N5O3+ MolecularWeight: 452.48458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1)C2=NC3=CC=CC=C3N2)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)OC(=O)C

Isomeric SMILES

CC1=CC(=[N+](N1)C2=NC3=CC=CC=C3N2)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)OC(=O)C

InChI

InChI=1S/C26H21N5O3/c1-16-15-24(31(30-16)26-27-22-5-3-4-6-23(22)28-26)29-25(33)20-9-7-18(8-10-20)19-11-13-21(14-12-19)34-17(2)32/h3-15H,1-2H3,(H2,27,28,29,30,33)/p+1