[(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium

Systemtic Name: [(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium Openeye Name: [(1S)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl]-methyl-(2-naphthylmethyl)ammonium CAS Name: [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-methyl-(2-naphthalenylmethyl)ammonium IUPAC Name: [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium Traditional Name: [(1S)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl]-methyl-(2-naphthylmethyl)ammonium Formula: C22H22N3O+ MolecularWeight: 344.42958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)[NH+](C)CC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C#N)[NH+](C)CC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H21N3O/c1-16(22(26)24-21-11-8-17(14-23)9-12-21)25(2)15-18-7-10-19-5-3-4-6-20(19)13-18/h3-13,16H,15H2,1-2H3,(H,24,26)/p+1/t16-/m0/s1