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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

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