1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]naphthalen-2-ol; ethanedioic acid

Systemtic Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]naphthalen-2-ol; ethanedioic acid Openeye Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]naphthalen-2-ol; oxalic acid CAS Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-2-naphthalenol; oxalic acid IUPAC Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]naphthalen-2-ol; oxalic acid Traditional Name: oxalic acid; 1-[(4-piperonylpiperazino)methyl]-2-naphthol Formula: C27H28N2O11 MolecularWeight: 556.51802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=C(C=CC5=CC=CC=C54)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=C(C=CC5=CC=CC=C54)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H24N2O3.2C2H2O4/c26-21-7-6-18-3-1-2-4-19(18)20(21)15-25-11-9-24(10-12-25)14-17-5-8-22-23(13-17)28-16-27-22;2*3-1(4)2(5)6/h1-8,13,26H,9-12,14-16H2;2*(H,3,4)(H,5,6)