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

Systemtic Name: ethanedioic acid; 1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]azepane Openeye Name: 1-[1-[(4-ethylphenyl)methyl]-4-piperidyl]azepane; oxalic acid CAS Name: 1-[1-[(4-ethylphenyl)methyl]-4-piperidinyl]azepane; oxalic acid IUPAC Name: 1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]azepane; oxalic acid Traditional Name: 1-[1-(4-ethylbenzyl)-4-piperidyl]azepane; oxalic acid Formula: C22H34N2O4 MolecularWeight: 390.51636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCC(CC2)N3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCC(CC2)N3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H32N2.C2H2O4/c1-2-18-7-9-19(10-8-18)17-21-15-11-20(12-16-21)22-13-5-3-4-6-14-22;3-1(4)2(5)6/h7-10,20H,2-6,11-17H2,1H3;(H,3,4)(H,5,6)