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

Systemtic Name: (3R)-3-[[4-(3-methylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]-3-oxidanyl-1-phenethyl-piperidin-2-one Openeye Name: (3R)-3-hydroxy-3-[[4-(3-methylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]-1-phenethyl-piperidin-2-one CAS Name: (3R)-3-hydroxy-3-[[4-(3-methyl-2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1-phenethyl-2-piperidinone IUPAC Name: (3R)-3-hydroxy-3-[[4-(3-methylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]-1-phenethylpiperidin-2-one Traditional Name: (3R)-3-hydroxy-3-[[4-(3-methylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]-1-phenethyl-2-piperidone Formula: C24H34N4O2+2 MolecularWeight: 410.55236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=CC=C1)N2CC[NH+](CC2)CC3(CCCN(C3=O)CCC4=CC=CC=C4)O

Isomeric SMILES

CC1=C([NH+]=CC=C1)N2CC[NH+](CC2)C[C@@]3(CCCN(C3=O)CCC4=CC=CC=C4)O

InChI

InChI=1S/C24H32N4O2/c1-20-7-5-12-25-22(20)27-17-15-26(16-18-27)19-24(30)11-6-13-28(23(24)29)14-10-21-8-3-2-4-9-21/h2-5,7-9,12,30H,6,10-11,13-19H2,1H3/p+2/t24-/m1/s1