(3R)-4-(naphthalen-2-ylmethyl)-3-[2-oxidanylidene-2-(4-phenylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-(naphthalen-2-ylmethyl)-3-[2-oxidanylidene-2-(4-phenylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-(2-naphthylmethyl)-3-[2-oxo-2-(4-phenyl-1-piperidyl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-(2-naphthalenylmethyl)-3-[2-oxo-2-(4-phenyl-1-piperidinyl)ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-(naphthalen-2-ylmethyl)-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(4-phenylpiperidino)ethyl]-4-(2-naphthylmethyl)piperazin-4-ium-2-one Formula: C28H32N3O2+ MolecularWeight: 442.57258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)C(=O)CC3C(=O)NCC[NH+]3CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)C(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H31N3O2/c32-27(30-15-12-24(13-16-30)22-6-2-1-3-7-22)19-26-28(33)29-14-17-31(26)20-21-10-11-23-8-4-5-9-25(23)18-21/h1-11,18,24,26H,12-17,19-20H2,(H,29,33)/p+1/t26-/m1/s1