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

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl]-veratryl-ammonium Formula: C22H27N4O4+ MolecularWeight: 411.47418

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-15-21(22(28)26(25(15)2)17-8-6-5-7-9-17)24-20(27)14-23-13-16-10-11-18(29-3)19(12-16)30-4/h5-12,23H,13-14H2,1-4H3,(H,24,27)/p+1