(3R)-3-oxidanyl-1-phenethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]piperidin-2-one

Systemtic Name: (3R)-3-oxidanyl-1-phenethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]piperidin-2-one Openeye Name: (3R)-3-hydroxy-1-phenethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]piperidin-2-one CAS Name: (3R)-3-hydroxy-1-phenethyl-3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-piperidinone IUPAC Name: (3R)-3-hydroxy-1-phenethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]piperidin-2-one Traditional Name: (3R)-3-hydroxy-1-phenethyl-3-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-2-piperidone Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)CCC2=CC=CC=C2)(CN3CCN(CC3)C4=CC=CC=[NH+]4)O

Isomeric SMILES

C1C[C@](C(=O)N(C1)CCC2=CC=CC=C2)(CN3CCN(CC3)C4=CC=CC=[NH+]4)O

InChI

InChI=1S/C23H30N4O2/c28-22-23(29,11-6-13-27(22)14-10-20-7-2-1-3-8-20)19-25-15-17-26(18-16-25)21-9-4-5-12-24-21/h1-5,7-9,12,29H,6,10-11,13-19H2/p+1/t23-/m1/s1