[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(4-methylsulfanylphenyl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-[4-(methylthio)phenyl]methanone Formula: C17H20BrN2OS2+ MolecularWeight: 412.3875

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C17H19BrN2OS2/c1-22-14-4-2-13(3-5-14)17(21)20-10-8-19(9-11-20)12-15-6-7-16(18)23-15/h2-7H,8-12H2,1H3/p+1