1-(5-bromanyl-2-methoxy-4-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-(5-bromanyl-2-methoxy-4-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(5-bromo-2-methoxy-4-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(5-bromo-2-methoxy-4-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C13H20BrN2O3S+ MolecularWeight: 364.2785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)S(=O)(=O)N2CC[NH+](CC2)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)S(=O)(=O)N2CC[NH+](CC2)C)OC

InChI

InChI=1S/C13H19BrN2O3S/c1-10-8-12(19-3)13(9-11(10)14)20(17,18)16-6-4-15(2)5-7-16/h8-9H,4-7H2,1-3H3/p+1