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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)C2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H27ClN2O2.C2H2O4/c20-16-5-7-18(8-6-16)24-15-19(23)22-13-9-17(10-14-22)21-11-3-1-2-4-12-21;3-1(4)2(5)6/h5-8,17H,1-4,9-15H2;(H,3,4)(H,5,6)