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

Systemtic Name: ethanedioic acid; 2-[(4-methylpiperazin-1-yl)methyl]azepane Openeye Name: 2-[(4-methylpiperazin-1-yl)methyl]azepane; oxalic acid CAS Name: 2-[(4-methyl-1-piperazinyl)methyl]azepane; oxalic acid IUPAC Name: 2-[(4-methylpiperazin-1-yl)methyl]azepane; oxalic acid Traditional Name: 2-[(4-methylpiperazino)methyl]azepane; oxalic acid Formula: C14H27N3O4 MolecularWeight: 301.38188

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2CCCCCN2.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CC2CCCCCN2.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H25N3.C2H2O4/c1-14-7-9-15(10-8-14)11-12-5-3-2-4-6-13-12;3-1(4)2(5)6/h12-13H,2-11H2,1H3;(H,3,4)(H,5,6)