[3-[(dimethylazaniumyl)methyl]-2-methyl-5-[methyl(sulfanylperoxy)amino]phenyl]methyl-dimethyl-azanium

Systemtic Name: [3-[(dimethylazaniumyl)methyl]-2-methyl-5-[methyl(sulfanylperoxy)amino]phenyl]methyl-dimethyl-azanium Openeye Name: [3-[(dimethylammonio)methyl]-2-methyl-5-[methyl(sulfanylperoxy)amino]phenyl]methyl-dimethyl-ammonium CAS Name: [3-[(dimethylammonio)methyl]-5-[mercaptodioxy(methyl)amino]-2-methylphenyl]methyl-dimethylammonium IUPAC Name: [3-[(dimethylazaniumyl)methyl]-2-methyl-5-[methyl(sulfanylperoxy)amino]phenyl]methyl-dimethylazanium Traditional Name: [3-[(dimethylammonio)methyl]-5-[mercaptoperoxy(methyl)amino]-2-methyl-benzyl]-dimethyl-ammonium Formula: C14H27N3O2S+2 MolecularWeight: 301.44808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C[NH+](C)C)N(C)OOS)C[NH+](C)C

Isomeric SMILES

CC1=C(C=C(C=C1C[NH+](C)C)N(C)OOS)C[NH+](C)C

InChI

InChI=1S/C14H25N3O2S/c1-11-12(9-15(2)3)7-14(17(6)18-19-20)8-13(11)10-16(4)5/h7-8,20H,9-10H2,1-6H3/p+2