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

Systemtic Name: [4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-thiophen-2-yl-methanone; ethanedioic acid Openeye Name: [4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-1-yl]-(2-thienyl)methanone; oxalic acid CAS Name: [4-[(3-bromo-4-methoxyphenyl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone; oxalic acid IUPAC Name: [4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [4-(3-bromo-4-methoxy-benzyl)piperazino]-(2-thienyl)methanone; oxalic acid Formula: C19H21BrN2O6S MolecularWeight: 485.34884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CS3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CS3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H19BrN2O2S.C2H2O4/c1-22-15-5-4-13(11-14(15)18)12-19-6-8-20(9-7-19)17(21)16-3-2-10-23-16;3-1(4)2(5)6/h2-5,10-11H,6-9,12H2,1H3;(H,3,4)(H,5,6)