1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-phenyl-ethanone; ethanedioic acid

Systemtic Name: 1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-phenyl-ethanone; ethanedioic acid Openeye Name: 1-[4-(3,5-dimethyl-1-piperidyl)-1-piperidyl]-2-phenyl-ethanone; oxalic acid CAS Name: 1-[4-(3,5-dimethyl-1-piperidinyl)-1-piperidinyl]-2-phenylethanone; oxalic acid IUPAC Name: 1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-phenylethanone; oxalic acid Traditional Name: 1-[4-(3,5-dimethylpiperidino)piperidino]-2-phenyl-ethanone; oxalic acid Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2CCN(CC2)C(=O)CC3=CC=CC=C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CC(CN(C1)C2CCN(CC2)C(=O)CC3=CC=CC=C3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H30N2O.C2H2O4/c1-16-12-17(2)15-22(14-16)19-8-10-21(11-9-19)20(23)13-18-6-4-3-5-7-18;3-1(4)2(5)6/h3-7,16-17,19H,8-15H2,1-2H3;(H,3,4)(H,5,6)