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

Systemtic Name: 1-(5-bromanyl-2-methoxy-4-methyl-phenyl)sulfonyl-4-ethyl-piperazin-4-ium Openeye Name: 1-(5-bromo-2-methoxy-4-methyl-phenyl)sulfonyl-4-ethyl-piperazin-4-ium CAS Name: 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-4-ethylpiperazin-4-ium IUPAC Name: 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-4-ethylpiperazin-4-ium Traditional Name: 1-(5-bromo-2-methoxy-4-methyl-phenyl)sulfonyl-4-ethyl-piperazin-4-ium Formula: C14H22BrN2O3S+ MolecularWeight: 378.30508

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)Br)C)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)Br)C)OC

InChI

InChI=1S/C14H21BrN2O3S/c1-4-16-5-7-17(8-6-16)21(18,19)14-10-12(15)11(2)9-13(14)20-3/h9-10H,4-8H2,1-3H3/p+1