2-methyl-3-prop-2-ynyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-methyl-3-prop-2-ynyl-1,3-benzothiazol-3-ium Openeye Name: 2-methyl-3-prop-2-ynyl-1,3-benzothiazol-3-ium CAS Name: 2-methyl-3-prop-2-ynyl-1,3-benzothiazol-3-ium IUPAC Name: 2-methyl-3-prop-2-ynyl-1,3-benzothiazol-3-ium Traditional Name: 2-methyl-3-propargyl-1,3-benzothiazol-3-ium Formula: C11H10NS+ MolecularWeight: 188.2688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10NS/c1-3-8-12-9(2)13-11-7-5-4-6-10(11)12/h1,4-7H,8H2,2H3/q+1