1-(4-bromanyl-3-methyl-phenyl)sulfonyl-4-(2-methylprop-2-enyl)piperazin-4-ium

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)sulfonyl-4-(2-methylprop-2-enyl)piperazin-4-ium Openeye Name: 1-(4-bromo-3-methyl-phenyl)sulfonyl-4-(2-methylallyl)piperazin-4-ium CAS Name: 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-methylprop-2-enyl)piperazin-4-ium IUPAC Name: 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-methylprop-2-enyl)piperazin-4-ium Traditional Name: 1-(4-bromo-3-methyl-phenyl)sulfonyl-4-(2-methylallyl)piperazin-4-ium Formula: C15H22BrN2O2S+ MolecularWeight: 374.31638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21BrN2O2S/c1-12(2)11-17-6-8-18(9-7-17)21(19,20)14-4-5-15(16)13(3)10-14/h4-5,10H,1,6-9,11H2,2-3H3/p+1