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ethanedioic acid; 1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]azepane

ethanedioic acid; 1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]azepane

Systemtic Name:ethanedioic acid; 1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]azepane
Openeye Name:oxalic acid; 1-[1-(3-pyridylmethyl)-4-piperidyl]azepane
CAS Name:oxalic acid; 1-[1-(3-pyridinylmethyl)-4-piperidinyl]azepane
IUPAC Name:oxalic acid; 1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]azepane
Traditional Name:oxalic acid; 1-[1-(3-pyridylmethyl)-4-piperidyl]azepane
Formula: C19H29N3O4
MolecularWeight: 363.45126
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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