(2R)-N-(2-cyanoethyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-phenyl-propanamide CAS Name: (2R)-2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(2-cyanoethyl)-N-phenylpropanamide IUPAC Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-phenylpropanamide Traditional Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-phenyl-propionamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@H](C(=O)N(CCC#N)C1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C24H28N4O2/c1-19(24(30)28(14-6-13-25)23-7-4-3-5-8-23)26-15-17-27(18-16-26)22-11-9-21(10-12-22)20(2)29/h3-5,7-12,19H,6,14-18H2,1-2H3/p+1/t19-/m1/s1