1-[4-(azepan-1-yl)piperidin-1-yl]-3-cyclopentyl-propan-1-one; ethanedioic acid

Systemtic Name: 1-[4-(azepan-1-yl)piperidin-1-yl]-3-cyclopentyl-propan-1-one; ethanedioic acid Openeye Name: 1-[4-(azepan-1-yl)-1-piperidyl]-3-cyclopentyl-propan-1-one; oxalic acid CAS Name: 1-[4-(1-azepanyl)-1-piperidinyl]-3-cyclopentyl-1-propanone; oxalic acid IUPAC Name: 1-[4-(azepan-1-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one; oxalic acid Traditional Name: 1-[4-(azepan-1-yl)piperidino]-3-cyclopentyl-propan-1-one; oxalic acid Formula: C21H36N2O5 MolecularWeight: 396.52094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CCN(CC2)C(=O)CCC3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)C2CCN(CC2)C(=O)CCC3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H34N2O.C2H2O4/c22-19(10-9-17-7-3-4-8-17)21-15-11-18(12-16-21)20-13-5-1-2-6-14-20;3-1(4)2(5)6/h17-18H,1-16H2;(H,3,4)(H,5,6)