[(1S)-2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: [(1S)-2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenyl-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [(1S)-2-keto-2-(o-phenetidino)-1-phenyl-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C27H29N4O2+ MolecularWeight: 441.54476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)[NH+](C)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C2=CC=CC=C2)[NH+](C)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O2/c1-3-33-25-17-11-10-16-24(25)29-27(32)26(22-12-6-4-7-13-22)30(2)19-21-18-28-31(20-21)23-14-8-5-9-15-23/h4-18,20,26H,3,19H2,1-2H3,(H,29,32)/p+1/t26-/m0/s1