[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl]-ethyl-(2-thienylmethyl)ammonium CAS Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium Traditional Name: [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl]-ethyl-(2-thenyl)ammonium Formula: C17H20N3OS+ MolecularWeight: 314.4252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CS1)C(C)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC[NH+](CC1=CC=CS1)[C@H](C)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H19N3OS/c1-3-20(12-16-5-4-10-22-16)13(2)17(21)19-15-8-6-14(11-18)7-9-15/h4-10,13H,3,12H2,1-2H3,(H,19,21)/p+1/t13-/m1/s1