(3-chlorophenyl)methyl-[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (3-chlorophenyl)methyl-[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (3-chlorophenyl)methyl-[(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (3-chlorophenyl)methyl-[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (3-chlorophenyl)methyl-[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: (3-chlorobenzyl)-[(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C18H19ClN3O+ MolecularWeight: 328.81596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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