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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-phenyl-methanone; ethanedioic acid Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-phenyl-methanone; oxalic acid CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-phenylmethanone; oxalic acid IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-phenylmethanone; oxalic acid Traditional Name: oxalic acid; phenyl-(4-piperonylpiperazino)methanone Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O3.C2H2O4/c22-19(16-4-2-1-3-5-16)21-10-8-20(9-11-21)13-15-6-7-17-18(12-15)24-14-23-17;3-1(4)2(5)6/h1-7,12H,8-11,13-14H2;(H,3,4)(H,5,6)