[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]-[(4-methoxycarbonylphenyl)methyl]azanium

Systemtic Name: [2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]-[(4-methoxycarbonylphenyl)methyl]azanium Openeye Name: [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]-[(4-methoxycarbonylphenyl)methyl]ammonium CAS Name: [2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]ammonium IUPAC Name: [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]azanium Traditional Name: (4-carbomethoxybenzyl)-[2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl]ammonium Formula: C22H25N4O4+ MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C[NH2+]CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C[NH2+]CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H24N4O4/c1-15-20(21(28)26(25(15)2)18-7-5-4-6-8-18)24-19(27)14-23-13-16-9-11-17(12-10-16)22(29)30-3/h4-12,23H,13-14H2,1-3H3,(H,24,27)/p+1