[(2S)-1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2S)-1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(1S)-2-(3-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: [(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: benzyl-[(1S)-2-(3-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C18H22ClN2O+ MolecularWeight: 317.83308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)[C@H](C)[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C18H21ClN2O/c1-13-16(19)10-7-11-17(13)20-18(22)14(2)21(3)12-15-8-5-4-6-9-15/h4-11,14H,12H2,1-3H3,(H,20,22)/p+1/t14-/m0/s1