N-(2-bromanyl-4-methyl-phenyl)piperazin-4-ium-1-sulfonamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)piperazin-4-ium-1-sulfonamide Openeye Name: N-(2-bromo-4-methyl-phenyl)piperazin-4-ium-1-sulfonamide CAS Name: N-(2-bromo-4-methylphenyl)-1-piperazin-4-iumsulfonamide IUPAC Name: N-(2-bromo-4-methylphenyl)piperazin-4-ium-1-sulfonamide Traditional Name: N-(2-bromo-4-methyl-phenyl)piperazin-4-ium-1-sulfonamide Formula: C11H17BrN3O2S+ MolecularWeight: 335.24058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)N2CC[NH2+]CC2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)N2CC[NH2+]CC2)Br

InChI

InChI=1S/C11H16BrN3O2S/c1-9-2-3-11(10(12)8-9)14-18(16,17)15-6-4-13-5-7-15/h2-3,8,13-14H,4-7H2,1H3/p+1