1-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazinyl)ethanol; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol; oxalic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazino)ethanol; oxalic acid Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(C2=CC3=C(C=C2)OCO3)O)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC(C2=CC3=C(C=C2)OCO3)O)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H22N2O3.C2H2O4/c22-17(15-6-7-18-19(12-15)24-14-23-18)13-20-8-10-21(11-9-20)16-4-2-1-3-5-16;3-1(4)2(5)6/h1-7,12,17,22H,8-11,13-14H2;(H,3,4)(H,5,6)