ethanedioic acid; 2-[(3-methylpiperidin-1-yl)methyl]azepane

Systemtic Name: ethanedioic acid; 2-[(3-methylpiperidin-1-yl)methyl]azepane Openeye Name: 2-[(3-methyl-1-piperidyl)methyl]azepane; oxalic acid CAS Name: 2-[(3-methyl-1-piperidinyl)methyl]azepane; oxalic acid IUPAC Name: 2-[(3-methylpiperidin-1-yl)methyl]azepane; oxalic acid Traditional Name: 2-[(3-methylpiperidino)methyl]azepane; oxalic acid Formula: C15H28N2O4 MolecularWeight: 300.39382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2CCCCCN2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCN(C1)CC2CCCCCN2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H26N2.C2H2O4/c1-12-6-5-9-15(10-12)11-13-7-3-2-4-8-14-13;3-1(4)2(5)6/h12-14H,2-11H2,1H3;(H,3,4)(H,5,6)