2-(4-chloranylphenoxy)-1-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]ethanone; ethanedioic acid

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]ethanone; ethanedioic acid Openeye Name: 2-(4-chlorophenoxy)-1-[4-(3-methyl-1-piperidyl)-1-piperidyl]ethanone; oxalic acid CAS Name: 2-(4-chlorophenoxy)-1-[4-(3-methyl-1-piperidinyl)-1-piperidinyl]ethanone; oxalic acid IUPAC Name: 2-(4-chlorophenoxy)-1-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]ethanone; oxalic acid Traditional Name: 2-(4-chlorophenoxy)-1-[4-(3-methylpiperidino)piperidino]ethanone; oxalic acid Formula: C21H29ClN2O6 MolecularWeight: 440.91776

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCN(C1)C2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H27ClN2O2.C2H2O4/c1-15-3-2-10-22(13-15)17-8-11-21(12-9-17)19(23)14-24-18-6-4-16(20)5-7-18;3-1(4)2(5)6/h4-7,15,17H,2-3,8-14H2,1H3;(H,3,4)(H,5,6)