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

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-piperidin-1-yl-methanone; ethanedioic acid Openeye Name: [1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]-(1-piperidyl)methanone; oxalic acid CAS Name: [1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]-(1-piperidinyl)methanone; oxalic acid IUPAC Name: [1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone; oxalic acid Traditional Name: oxalic acid; piperidino-(1-piperonyl-4-piperidyl)methanone Formula: C21H28N2O7 MolecularWeight: 420.45622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H26N2O3.C2H2O4/c22-19(21-8-2-1-3-9-21)16-6-10-20(11-7-16)13-15-4-5-17-18(12-15)24-14-23-17;3-1(4)2(5)6/h4-5,12,16H,1-3,6-11,13-14H2;(H,3,4)(H,5,6)