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

Systemtic Name: (3R)-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(4-benzylpiperidino)-2-keto-ethyl]piperazin-4-ium-2-one Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CC3C(=O)NCC[NH2+]3

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C[C@@H]3C(=O)NCC[NH2+]3

InChI

InChI=1S/C18H25N3O2/c22-17(13-16-18(23)20-9-8-19-16)21-10-6-15(7-11-21)12-14-4-2-1-3-5-14/h1-5,15-16,19H,6-13H2,(H,20,23)/p+1/t16-/m1/s1