(2S)-N-(2-cyanoethyl)-N-phenyl-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(2-cyanoethyl)-N-phenyl-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(2-cyanoethyl)-N-phenyl-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(2-cyanoethyl)-N-phenyl-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(2-cyanoethyl)-N-phenyl-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(2-cyanoethyl)-N-phenyl-2-piperazin-4-ium-1-yl-propionamide Formula: C16H23N4O+ MolecularWeight: 287.38002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)N(CCC#N)C1=CC=CC=C1)N2CC[NH2+]CC2

InChI

InChI=1S/C16H22N4O/c1-14(19-12-9-18-10-13-19)16(21)20(11-5-8-17)15-6-3-2-4-7-15/h2-4,6-7,14,18H,5,9-13H2,1H3/p+1/t14-/m0/s1