[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-(phenylmethyl)azanium chloride

Systemtic Name: [3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-(phenylmethyl)azanium chloride Openeye Name: benzyl-(3-methyl-1,1-dioxo-thiolan-3-yl)ammonium chloride CAS Name: (3-methyl-1,1-dioxo-3-thiolanyl)-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride Traditional Name: benzyl-(1,1-diketo-3-methyl-thiolan-3-yl)ammonium chloride Formula: C12H18ClNO2S MolecularWeight: 275.79482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)[NH2+]CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1(CCS(=O)(=O)C1)[NH2+]CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C12H17NO2S.ClH/c1-12(7-8-16(14,15)10-12)13-9-11-5-3-2-4-6-11;/h2-6,13H,7-10H2,1H3;1H