ethanedioic acid; 1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]azepane

Systemtic Name: ethanedioic acid; 1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]azepane Openeye Name: oxalic acid; 1-[1-(4-pyridylmethyl)-4-piperidyl]azepane CAS Name: oxalic acid; 1-[1-(pyridin-4-ylmethyl)-4-piperidinyl]azepane IUPAC Name: oxalic acid; 1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]azepane Traditional Name: oxalic acid; 1-[1-(4-pyridylmethyl)-4-piperidyl]azepane Formula: C19H29N3O4 MolecularWeight: 363.45126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CCN(CC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)C2CCN(CC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H27N3.C2H2O4/c1-2-4-12-20(11-3-1)17-7-13-19(14-8-17)15-16-5-9-18-10-6-16;3-1(4)2(5)6/h5-6,9-10,17H,1-4,7-8,11-15H2;(H,3,4)(H,5,6)