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1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]azepane; ethanedioic acid

1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]azepane; ethanedioic acid

Systemtic Name:1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]azepane; ethanedioic acid
Openeye Name:1-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]azepane; oxalic acid
CAS Name:1-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]azepane; oxalic acid
IUPAC Name:1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]azepane; oxalic acid
Traditional Name:oxalic acid; 1-(1-piperonyl-4-piperidyl)azepane
Formula: C21H30N2O6
MolecularWeight: 406.4727
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O


Isomeric SMILES

C1CCCN(CC1)C2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O


InChI

InChI=1S/C19H28N2O2.C2H2O4/c1-2-4-10-21(9-3-1)17-7-11-20(12-8-17)14-16-5-6-18-19(13-16)23-15-22-18;3-1(4)2(5)6/h5-6,13,17H,1-4,7-12,14-15H2;(H,3,4)(H,5,6)


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