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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxyphenyl)methanone; ethanedioic acid Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxyphenyl)methanone; oxalic acid CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(3-methoxyphenyl)methanone; oxalic acid IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxyphenyl)methanone; oxalic acid Traditional Name: (3-methoxyphenyl)-(4-piperonylpiperazino)methanone; oxalic acid Formula: C22H24N2O8 MolecularWeight: 444.43456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H22N2O4.C2H2O4/c1-24-17-4-2-3-16(12-17)20(23)22-9-7-21(8-10-22)13-15-5-6-18-19(11-15)26-14-25-18;3-1(4)2(5)6/h2-6,11-12H,7-10,13-14H2,1H3;(H,3,4)(H,5,6)