(3R)-4-[(2-methoxyphenyl)methyl]-3-[2-oxidanylidene-2-(4-oxidanyl-4-pyridin-2-yl-piperidin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(2-methoxyphenyl)methyl]-3-[2-oxidanylidene-2-(4-oxidanyl-4-pyridin-2-yl-piperidin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-[4-hydroxy-4-(2-pyridyl)-1-piperidyl]-2-oxo-ethyl]-4-[(2-methoxyphenyl)methyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-[4-hydroxy-4-(2-pyridinyl)-1-piperidinyl]-2-oxoethyl]-4-[(2-methoxyphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-4-[(2-methoxyphenyl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-[4-hydroxy-4-(2-pyridyl)piperidino]-2-keto-ethyl]-4-o-anisyl-piperazin-4-ium-2-one Formula: C24H31N4O4+ MolecularWeight: 439.52734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)N3CCC(CC3)(C4=CC=CC=N4)O

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCC(CC3)(C4=CC=CC=N4)O

InChI

InChI=1S/C24H30N4O4/c1-32-20-7-3-2-6-18(20)17-28-15-12-26-23(30)19(28)16-22(29)27-13-9-24(31,10-14-27)21-8-4-5-11-25-21/h2-8,11,19,31H,9-10,12-17H2,1H3,(H,26,30)/p+1/t19-/m1/s1