1-[(5-bromanylthiophen-2-yl)methyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)methyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(5-bromo-2-thienyl)methyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-[(5-bromo-2-thiophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(5-bromothiophen-2-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(5-bromo-2-thienyl)methyl]-4-tosyl-piperazin-1-ium Formula: C16H20BrN2O2S2+ MolecularWeight: 416.3762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C16H19BrN2O2S2/c1-13-2-5-15(6-3-13)23(20,21)19-10-8-18(9-11-19)12-14-4-7-16(17)22-14/h2-7H,8-12H2,1H3/p+1