5,9-dimethyl-7,10-dihydro-6aH-thiopyrano[1,2-a][1,4]benzothiazin-11-ium-6-one perchlorate

Systemtic Name: 5,9-dimethyl-7,10-dihydro-6aH-thiopyrano[1,2-a][1,4]benzothiazin-11-ium-6-one perchlorate Openeye Name: 5,9-dimethyl-7,10-dihydro-6aH-thiopyrano[1,2-a][1,4]benzothiazin-11-ium-6-one perchlorate CAS Name: 5,9-dimethyl-7,10-dihydro-6aH-thiopyrano[1,2-a][1,4]benzothiazin-11-ium-6-one perchlorate IUPAC Name: 5,9-dimethyl-7,10-dihydro-6aH-thiopyrano[1,2-a][1,4]benzothiazin-11-ium-6-one perchlorate Traditional Name: 5,9-dimethyl-7,10-dihydro-6aH-thiopyrano[1,2-a][1,4]benzothiazin-11-ium-6-one perchlorate Formula: C14H16ClNO5S MolecularWeight: 345.79854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(=O)N(C3=CC=CC=C3[S+]2C1)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CCC2C(=O)N(C3=CC=CC=C3[S+]2C1)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H16NOS.ClHO4/c1-10-7-8-13-14(16)15(2)11-5-3-4-6-12(11)17(13)9-10;2-1(3,4)5/h3-7,13H,8-9H2,1-2H3;(H,2,3,4,5)/q+1;/p-1