(4-ethoxy-2-ethoxycarbonyl-4-oxidanylidene-butanethioyl)-hexyl-methyl-sulfanyl-azanium

Systemtic Name: (4-ethoxy-2-ethoxycarbonyl-4-oxidanylidene-butanethioyl)-hexyl-methyl-sulfanyl-azanium Openeye Name: (4-ethoxy-2-ethoxycarbonyl-4-oxo-butanethioyl)-hexyl-methyl-sulfanyl-ammonium CAS Name: (4-ethoxy-2-ethoxycarbonyl-4-oxo-1-sulfanylidenebutyl)-hexyl-mercapto-methylammonium IUPAC Name: (4-ethoxy-2-ethoxycarbonyl-4-oxobutanethioyl)-hexyl-methyl-sulfanylazanium Traditional Name: (2-carbethoxy-4-ethoxy-4-keto-butanethioyl)-hexyl-mercapto-methyl-ammonium Formula: C16H30NO4S2+ MolecularWeight: 364.5437

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](C)(C(=S)C(CC(=O)OCC)C(=O)OCC)S

Isomeric SMILES

CCCCCC[N+](C)(C(=S)C(CC(=O)OCC)C(=O)OCC)S

InChI

InChI=1S/C16H30NO4S2/c1-5-8-9-10-11-17(4,23)15(22)13(16(19)21-7-3)12-14(18)20-6-2/h13,23H,5-12H2,1-4H3/q+1