1-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]azepane; ethanedioic acid

Systemtic Name: 1-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]azepane; ethanedioic acid Openeye Name: 1-[1-[(2,3-dimethoxyphenyl)methyl]-4-piperidyl]azepane; oxalic acid CAS Name: 1-[1-[(2,3-dimethoxyphenyl)methyl]-4-piperidinyl]azepane; oxalic acid IUPAC Name: 1-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]azepane; oxalic acid Traditional Name: 1-(1-o-veratryl-4-piperidyl)azepane; oxalic acid Formula: C22H34N2O6 MolecularWeight: 422.51516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2CCC(CC2)N3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2CCC(CC2)N3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H32N2O2.C2H2O4/c1-23-19-9-7-8-17(20(19)24-2)16-21-14-10-18(11-15-21)22-12-5-3-4-6-13-22;3-1(4)2(5)6/h7-9,18H,3-6,10-16H2,1-2H3;(H,3,4)(H,5,6)