[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl]-[(1R)-1-phenylethyl]azanium Openeye Name: [(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]-[(1R)-1-phenylethyl]azanium Traditional Name: [(1S)-2-cumidino-2-keto-1-methyl-ethyl]-[(1R)-1-phenylethyl]ammonium Formula: C20H27N2O+ MolecularWeight: 311.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C)[NH2+]C(C)C2=CC=CC=C2

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH2+][C@@H](C)C(=O)NC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C20H26N2O/c1-14(2)17-10-12-19(13-11-17)22-20(23)16(4)21-15(3)18-8-6-5-7-9-18/h5-16,21H,1-4H3,(H,22,23)/p+1/t15-,16+/m1/s1