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

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(1S)-2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(1S)-2-keto-2-(o-phenetidino)-1-phenyl-ethyl]ammonium Formula: C28H31N4O2+ MolecularWeight: 455.57134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)[NH2+]CC3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CC3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C28H30N4O2/c1-4-34-26-18-12-11-17-25(26)30-28(33)27(22-13-7-5-8-14-22)29-19-24-20(2)31-32(21(24)3)23-15-9-6-10-16-23/h5-18,27,29H,4,19H2,1-3H3,(H,30,33)/p+1/t27-/m0/s1