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

Systemtic Name: ethanedioic acid; 2-[(4-ethylpiperazin-1-yl)methyl]azepane Openeye Name: 2-[(4-ethylpiperazin-1-yl)methyl]azepane; oxalic acid CAS Name: 2-[(4-ethyl-1-piperazinyl)methyl]azepane; oxalic acid IUPAC Name: 2-[(4-ethylpiperazin-1-yl)methyl]azepane; oxalic acid Traditional Name: 2-[(4-ethylpiperazino)methyl]azepane; oxalic acid Formula: C15H29N3O4 MolecularWeight: 315.40846

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2CCCCCN2.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CC2CCCCCN2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H27N3.C2H2O4/c1-2-15-8-10-16(11-9-15)12-13-6-4-3-5-7-14-13;3-1(4)2(5)6/h13-14H,2-12H2,1H3;(H,3,4)(H,5,6)