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

Systemtic Name: (3R)-3-[2-oxidanylidene-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(4-benzyloxy-1-piperidyl)-2-oxo-ethyl]-4-(3-pyridylmethyl)piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-(4-phenylmethoxy-1-piperidinyl)ethyl]-4-(3-pyridinylmethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(4-benzoxypiperidino)-2-keto-ethyl]-4-(3-pyridylmethyl)piperazin-4-ium-2-one Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OCC2=CC=CC=C2)C(=O)CC3C(=O)NCC[NH+]3CC4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1OCC2=CC=CC=C2)C(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=CN=CC=C4

InChI

InChI=1S/C24H30N4O3/c29-23(27-12-8-21(9-13-27)31-18-19-5-2-1-3-6-19)15-22-24(30)26-11-14-28(22)17-20-7-4-10-25-16-20/h1-7,10,16,21-22H,8-9,11-15,17-18H2,(H,26,30)/p+1/t22-/m1/s1