[(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(1R)-2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: [(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: benzyl-[(1R)-2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C18H19ClN3O+ MolecularWeight: 328.81596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O/c1-13(22(2)12-14-6-4-3-5-7-14)18(23)21-16-9-8-15(11-20)17(19)10-16/h3-10,13H,12H2,1-2H3,(H,21,23)/p+1/t13-/m1/s1