(3S)-1-[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-(2-cyanoanilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-(2-cyanoanilino)-2-oxoethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-(2-cyanoanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-(2-cyanoanilino)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C21H23N4O2+ MolecularWeight: 363.43292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=CC=CC=C2C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=CC=CC=C2C#N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2/c22-13-16-7-4-5-11-19(16)24-20(26)15-25-12-6-8-17(14-25)21(27)23-18-9-2-1-3-10-18/h1-5,7,9-11,17H,6,8,12,14-15H2,(H,23,27)(H,24,26)/p+1/t17-/m0/s1