1-(4-bromanyl-2-ethyl-phenyl)sulfonylpiperazin-4-ium

Systemtic Name: 1-(4-bromanyl-2-ethyl-phenyl)sulfonylpiperazin-4-ium Openeye Name: 1-(4-bromo-2-ethyl-phenyl)sulfonylpiperazin-4-ium CAS Name: 1-(4-bromo-2-ethylphenyl)sulfonylpiperazin-4-ium IUPAC Name: 1-(4-bromo-2-ethylphenyl)sulfonylpiperazin-4-ium Traditional Name: 1-(4-bromo-2-ethyl-phenyl)sulfonylpiperazin-4-ium Formula: C12H18BrN2O2S+ MolecularWeight: 334.25252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C12H17BrN2O2S/c1-2-10-9-11(13)3-4-12(10)18(16,17)15-7-5-14-6-8-15/h3-4,9,14H,2,5-8H2,1H3/p+1