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

Systemtic Name: [(2S)-1-[(4-aminophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium Openeye Name: [(1S)-2-(4-aminoanilino)-1-methyl-2-oxo-ethyl]-benzyl-methyl-ammonium CAS Name: [(2S)-1-(4-aminoanilino)-1-oxopropan-2-yl]-methyl-(phenylmethyl)ammonium IUPAC Name: [(2S)-1-(4-aminoanilino)-1-oxopropan-2-yl]-benzyl-methylazanium Traditional Name: [(1S)-2-(4-aminoanilino)-2-keto-1-methyl-ethyl]-benzyl-methyl-ammonium Formula: C17H22N3O+ MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O/c1-13(20(2)12-14-6-4-3-5-7-14)17(21)19-16-10-8-15(18)9-11-16/h3-11,13H,12,18H2,1-2H3,(H,19,21)/p+1/t13-/m0/s1