methyl-[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl]-(phenylmethyl)azanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C)[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O/c1-15(2)18-10-12-19(13-11-18)21-20(23)16(3)22(4)14-17-8-6-5-7-9-17/h5-13,15-16H,14H2,1-4H3,(H,21,23)/p+1/t16-/m0/s1