(3R)-3-[2-oxidanylidene-2-(4-phenethylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-oxidanylidene-2-(4-phenethylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-oxo-2-(4-phenethyl-1-piperidyl)ethyl]-4-(2-pyridylmethyl)piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-(4-phenethyl-1-piperidinyl)ethyl]-4-(2-pyridinylmethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-oxo-2-(4-phenethylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(4-phenethylpiperidino)ethyl]-4-(2-pyridylmethyl)piperazin-4-ium-2-one Formula: C25H33N4O2+ MolecularWeight: 421.55512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC2=CC=CC=C2)C(=O)CC3C(=O)NCC[NH+]3CC4=CC=CC=N4

Isomeric SMILES

C1CN(CCC1CCC2=CC=CC=C2)C(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=CC=CC=N4

InChI

InChI=1S/C25H32N4O2/c30-24(28-15-11-21(12-16-28)10-9-20-6-2-1-3-7-20)18-23-25(31)27-14-17-29(23)19-22-8-4-5-13-26-22/h1-8,13,21,23H,9-12,14-19H2,(H,27,31)/p+1/t23-/m1/s1