1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)propan-2-one

Systemtic Name: 1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)propan-2-one Openeye Name: 1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)propan-2-one CAS Name: 1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2-propanone IUPAC Name: 1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)propan-2-one Traditional Name: 1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)acetone Formula: C11H12NOS+ MolecularWeight: 206.28408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=[N+](C2=CC=CC=C2S1)C

Isomeric SMILES

CC(=O)CC1=[N+](C2=CC=CC=C2S1)C

InChI

InChI=1S/C11H12NOS/c1-8(13)7-11-12(2)9-5-3-4-6-10(9)14-11/h3-6H,7H2,1-2H3/q+1