2-(5-bromanyl-1-benzothiophen-3-yl)-N,N-dimethyl-ethanamine; ethanedioic acid

Systemtic Name: 2-(5-bromanyl-1-benzothiophen-3-yl)-N,N-dimethyl-ethanamine; ethanedioic acid Openeye Name: 2-(5-bromobenzothiophen-3-yl)-N,N-dimethyl-ethanamine; oxalic acid CAS Name: 2-(5-bromo-1-benzothiophen-3-yl)-N,N-dimethylethanamine; oxalic acid IUPAC Name: 2-(5-bromo-1-benzothiophen-3-yl)-N,N-dimethylethanamine; oxalic acid Traditional Name: 2-(5-bromobenzothiophen-3-yl)ethyl-dimethyl-amine; oxalic acid Formula: C14H16BrNO4S MolecularWeight: 374.25014

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CSC2=C1C=C(C=C2)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCC1=CSC2=C1C=C(C=C2)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H14BrNS.C2H2O4/c1-14(2)6-5-9-8-15-12-4-3-10(13)7-11(9)12;3-1(4)2(5)6/h3-4,7-8H,5-6H2,1-2H3;(H,3,4)(H,5,6)