(3R)-3-[2-oxidanylidene-2-(4-oxidanyl-4-phenyl-piperidin-1-yl)ethyl]-4-(phenylmethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-oxidanylidene-2-(4-oxidanyl-4-phenyl-piperidin-1-yl)ethyl]-4-(phenylmethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-benzyl-3-[2-(4-hydroxy-4-phenyl-1-piperidyl)-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(4-hydroxy-4-phenyl-1-piperidinyl)-2-oxoethyl]-4-(phenylmethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-4-benzyl-3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-benzyl-3-[2-(4-hydroxy-4-phenyl-piperidino)-2-keto-ethyl]piperazin-4-ium-2-one Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)O)C(=O)CC3C(=O)NCC[NH+]3CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)O)C(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O3/c28-22(26-14-11-24(30,12-15-26)20-9-5-2-6-10-20)17-21-23(29)25-13-16-27(21)18-19-7-3-1-4-8-19/h1-10,21,30H,11-18H2,(H,25,29)/p+1/t21-/m1/s1