2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,6-dimethylpiperidin-1-yl)ethanone; ethanedioic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,6-dimethylpiperidin-1-yl)ethanone; ethanedioic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,6-dimethyl-1-piperidyl)ethanone; oxalic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,6-dimethyl-1-piperidinyl)ethanone; oxalic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,6-dimethylpiperidin-1-yl)ethanone; oxalic acid Traditional Name: 1-(2,6-dimethylpiperidino)-2-(piperonylamino)ethanone; oxalic acid Formula: C19H26N2O7 MolecularWeight: 394.41894

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CNCC2=CC3=C(C=C2)OCO3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCC(N1C(=O)CNCC2=CC3=C(C=C2)OCO3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H24N2O3.C2H2O4/c1-12-4-3-5-13(2)19(12)17(20)10-18-9-14-6-7-15-16(8-14)22-11-21-15;3-1(4)2(5)6/h6-8,12-13,18H,3-5,9-11H2,1-2H3;(H,3,4)(H,5,6)