dimethyl-[(5-oxidanylidene-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl]azanium chloride

Systemtic Name: dimethyl-[(5-oxidanylidene-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl]azanium chloride Openeye Name: dimethyl-[(5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl]ammonium chloride CAS Name: dimethyl-[(5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl]ammonium chloride IUPAC Name: dimethyl-[(5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl]azanium chloride Traditional Name: (5-keto-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl-dimethyl-ammonium chloride Formula: C13H18ClNOS MolecularWeight: 271.80612

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1CCSC2=CC=CC=C2C1=O.[Cl-]

Isomeric SMILES

C[NH+](C)CC1CCSC2=CC=CC=C2C1=O.[Cl-]

InChI

InChI=1S/C13H17NOS.ClH/c1-14(2)9-10-7-8-16-12-6-4-3-5-11(12)13(10)15;/h3-6,10H,7-9H2,1-2H3;1H