N-(1,3-benzodioxol-5-ylmethyl)pentan-3-amine; ethanedioic acid

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)pentan-3-amine; ethanedioic acid Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)pentan-3-amine; oxalic acid CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-pentanamine; oxalic acid IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)pentan-3-amine; oxalic acid Traditional Name: 1-ethylpropyl(piperonyl)amine; oxalic acid Formula: C15H21NO6 MolecularWeight: 311.33034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCC1=CC2=C(C=C1)OCO2.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CC)NCC1=CC2=C(C=C1)OCO2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19NO2.C2H2O4/c1-3-11(4-2)14-8-10-5-6-12-13(7-10)16-9-15-12;3-1(4)2(5)6/h5-7,11,14H,3-4,8-9H2,1-2H3;(H,3,4)(H,5,6)