[4-[(3-bromophenyl)methyl]piperazin-1-yl]-thiophen-2-yl-methanone; ethanedioic acid

Systemtic Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-thiophen-2-yl-methanone; ethanedioic acid Openeye Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-(2-thienyl)methanone; oxalic acid CAS Name: [4-[(3-bromophenyl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone; oxalic acid IUPAC Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [4-(3-bromobenzyl)piperazino]-(2-thienyl)methanone; oxalic acid Formula: C18H19BrN2O5S MolecularWeight: 455.32286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Br)C(=O)C3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Br)C(=O)C3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H17BrN2OS.C2H2O4/c17-14-4-1-3-13(11-14)12-18-6-8-19(9-7-18)16(20)15-5-2-10-21-15;3-1(4)2(5)6/h1-5,10-11H,6-9,12H2;(H,3,4)(H,5,6)