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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCC(CC2)N3CCCCCC3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(CC2)N3CCCCCC3)OC.C(=O)(C(=O)O)O

InChI

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