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

Systemtic Name: ethanedioic acid; 1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]azepane Openeye Name: 1-[1-[(3-methoxyphenyl)methyl]-4-piperidyl]azepane; oxalic acid CAS Name: 1-[1-[(3-methoxyphenyl)methyl]-4-piperidinyl]azepane; oxalic acid IUPAC Name: 1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]azepane; oxalic acid Traditional Name: 1-(1-m-anisyl-4-piperidyl)azepane; oxalic acid Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O.C2H2O4/c1-22-19-8-6-7-17(15-19)16-20-13-9-18(10-14-20)21-11-4-2-3-5-12-21;3-1(4)2(5)6/h6-8,15,18H,2-5,9-14,16H2,1H3;(H,3,4)(H,5,6)