[3-ethyl-4-(N'-methylcarbamimidoyl)sulfanyl-4-oxidanyl-hexan-3-yl]-trimethyl-azanium bromide hydrobromide

Systemtic Name: [3-ethyl-4-(N'-methylcarbamimidoyl)sulfanyl-4-oxidanyl-hexan-3-yl]-trimethyl-azanium bromide hydrobromide Openeye Name: [1,1-diethyl-2-hydroxy-2-(N'-methylcarbamimidoyl)sulfanyl-butyl]-trimethyl-ammonium bromide hydrobromide CAS Name: [4-[[amino(methylimino)methyl]thio]-3-ethyl-4-hydroxyhexan-3-yl]-trimethylammonium bromide hydrobromide IUPAC Name: [3-ethyl-4-hydroxy-4-(N'-methylcarbamimidoyl)sulfanylhexan-3-yl]-trimethylazanium bromide hydrobromide Traditional Name: [1,1-diethyl-2-hydroxy-2-[(N'-methylamidino)thio]butyl]-trimethyl-ammonium bromide hydrobromide Formula: C13H31Br2N3OS MolecularWeight: 437.27774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(CC)(O)SC(=NC)N)[N+](C)(C)C.Br.[Br-]

Isomeric SMILES

CCC(CC)(C(CC)(O)SC(=NC)N)[N+](C)(C)C.Br.[Br-]

InChI

InChI=1S/C13H30N3OS.2BrH/c1-8-12(9-2,16(5,6)7)13(17,10-3)18-11(14)15-4;;/h17H,8-10H2,1-7H3,(H2,14,15);2*1H/q+1;;/p-1