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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromanylthiophen-2-yl)methyl]piperazine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromo-2-thienyl)methyl]piperazine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromo-2-thiophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromothiophen-2-yl)methyl]piperazine; oxalic acid Traditional Name: 1-[(5-bromo-2-thienyl)methyl]-4-piperonyl-piperazine; oxalic acid Formula: C19H21BrN2O6S MolecularWeight: 485.34884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC=C(S4)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC=C(S4)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H19BrN2O2S.C2H2O4/c18-17-4-2-14(23-17)11-20-7-5-19(6-8-20)10-13-1-3-15-16(9-13)22-12-21-15;3-1(4)2(5)6/h1-4,9H,5-8,10-12H2;(H,3,4)(H,5,6)