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

Systemtic Name: (3R)-4-(furan-3-ylmethyl)-3-[2-oxidanylidene-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(4-benzyloxy-1-piperidyl)-2-oxo-ethyl]-4-(3-furylmethyl)piperazin-4-ium-2-one CAS Name: (3R)-4-(3-furanylmethyl)-3-[2-oxo-2-(4-phenylmethoxy-1-piperidinyl)ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(4-benzoxypiperidino)-2-keto-ethyl]-4-(3-furfuryl)piperazin-4-ium-2-one Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4/c27-22(14-21-23(28)24-9-12-26(21)15-19-8-13-29-16-19)25-10-6-20(7-11-25)30-17-18-4-2-1-3-5-18/h1-5,8,13,16,20-21H,6-7,9-12,14-15,17H2,(H,24,28)/p+1/t21-/m1/s1