2-[4-(benzenecarbonothioylsulfanyl)-4-isocyano-pentanoyl]oxyethyl-dimethyl-azanium chloride

Systemtic Name: 2-[4-(benzenecarbonothioylsulfanyl)-4-isocyano-pentanoyl]oxyethyl-dimethyl-azanium chloride Openeye Name: 2-[4-(benzenecarbonothioylsulfanyl)-4-isocyano-pentanoyl]oxyethyl-dimethyl-ammonium chloride CAS Name: 2-[4-(benzenecarbonothioylthio)-4-isocyano-1-oxopentoxy]ethyl-dimethylammonium chloride IUPAC Name: 2-[4-(benzenecarbonothioylsulfanyl)-4-isocyanopentanoyl]oxyethyl-dimethylazanium chloride Traditional Name: 2-[4-(benzenecarbonothioylthio)-4-isocyano-pentanoyl]oxyethyl-dimethyl-ammonium chloride Formula: C17H23ClN2O2S2 MolecularWeight: 386.95972

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OCC[NH+](C)C)([N+]#[C-])SC(=S)C1=CC=CC=C1.[Cl-]

Isomeric SMILES

CC(CCC(=O)OCC[NH+](C)C)([N+]#[C-])SC(=S)C1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C17H22N2O2S2.ClH/c1-17(18-2,11-10-15(20)21-13-12-19(3)4)23-16(22)14-8-6-5-7-9-14;/h5-9H,10-13H2,1,3-4H3;1H