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

Systemtic Name: (4-chlorophenyl)methyl-[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (4-chlorophenyl)methyl-[(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-chlorophenyl)methyl-[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (4-chlorophenyl)methyl-[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: (4-chlorobenzyl)-[(1R)-2-(4-cyanoanilino)-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)[NH+](C)CC2=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

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