ethanedioic acid; 1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]azepane

Systemtic Name: ethanedioic acid; 1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]azepane Openeye Name: 1-[1-(o-tolylmethyl)-4-piperidyl]azepane; oxalic acid CAS Name: 1-[1-[(2-methylphenyl)methyl]-4-piperidinyl]azepane; oxalic acid IUPAC Name: 1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]azepane; oxalic acid Traditional Name: 1-[1-(2-methylbenzyl)-4-piperidyl]azepane; oxalic acid Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCC(CC2)N3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1CN2CCC(CC2)N3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H30N2.C2H2O4/c1-17-8-4-5-9-18(17)16-20-14-10-19(11-15-20)21-12-6-2-3-7-13-21;3-1(4)2(5)6/h4-5,8-9,19H,2-3,6-7,10-16H2,1H3;(H,3,4)(H,5,6)