(3R)-3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-N-phenethyl-piperidine-1-carboxamide

Systemtic Name: (3R)-3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-N-phenethyl-piperidine-1-carboxamide Openeye Name: (3R)-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-N-phenethyl-piperidine-1-carboxamide CAS Name: (3R)-3-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-N-phenethyl-1-piperidinecarboxamide IUPAC Name: (3R)-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-N-phenethylpiperidine-1-carboxamide Traditional Name: (3R)-3-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]-N-phenethyl-piperidine-1-carboxamide Formula: C26H36N5O2+ MolecularWeight: 450.59634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NCCC2=CC=CC=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)NCCC2=CC=CC=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C26H35N5O2/c32-25(30-19-17-29(18-20-30)24-10-4-5-14-27-24)12-11-23-9-6-16-31(21-23)26(33)28-15-13-22-7-2-1-3-8-22/h1-5,7-8,10,14,23H,6,9,11-13,15-21H2,(H,28,33)/p+1/t23-/m1/s1