1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine; ethanedioic acid

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine; ethanedioic acid Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]-4-(2-methoxyphenyl)piperazine; oxalic acid CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]-4-(2-methoxyphenyl)piperazine; oxalic acid IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine; oxalic acid Traditional Name: 1-(2-methoxyphenyl)-4-(1-piperonyl-4-piperidyl)piperazine; oxalic acid Formula: C26H33N3O7 MolecularWeight: 499.55612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)CC4=CC5=C(C=C4)OCO5.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)CC4=CC5=C(C=C4)OCO5.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H31N3O3.C2H2O4/c1-28-22-5-3-2-4-21(22)27-14-12-26(13-15-27)20-8-10-25(11-9-20)17-19-6-7-23-24(16-19)30-18-29-23;3-1(4)2(5)6/h2-7,16,20H,8-15,17-18H2,1H3;(H,3,4)(H,5,6)