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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-yl-methanone; ethanedioic acid Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-pyridyl)methanone; oxalic acid CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-pyridin-4-ylmethanone; oxalic acid IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone; oxalic acid Traditional Name: oxalic acid; (4-piperonylpiperazino)-(4-pyridyl)methanone Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=NC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=NC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H19N3O3.C2H2O4/c22-18(15-3-5-19-6-4-15)21-9-7-20(8-10-21)12-14-1-2-16-17(11-14)24-13-23-16;3-1(4)2(5)6/h1-6,11H,7-10,12-13H2;(H,3,4)(H,5,6)