[4-(azepan-1-yl)piperidin-1-yl]-(3-chlorophenyl)methanone; ethanedioic acid

Systemtic Name: [4-(azepan-1-yl)piperidin-1-yl]-(3-chlorophenyl)methanone; ethanedioic acid Openeye Name: [4-(azepan-1-yl)-1-piperidyl]-(3-chlorophenyl)methanone; oxalic acid CAS Name: [4-(1-azepanyl)-1-piperidinyl]-(3-chlorophenyl)methanone; oxalic acid IUPAC Name: [4-(azepan-1-yl)piperidin-1-yl]-(3-chlorophenyl)methanone; oxalic acid Traditional Name: [4-(azepan-1-yl)piperidino]-(3-chlorophenyl)methanone; oxalic acid Formula: C20H27ClN2O5 MolecularWeight: 410.89178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O.C2H2O4/c19-16-7-5-6-15(14-16)18(22)21-12-8-17(9-13-21)20-10-3-1-2-4-11-20;3-1(4)2(5)6/h5-7,14,17H,1-4,8-13H2;(H,3,4)(H,5,6)