3-methyl-2-[(E)-3-methylbut-1-enyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-methyl-2-[(E)-3-methylbut-1-enyl]-1,3-benzothiazol-3-ium Openeye Name: 3-methyl-2-[(E)-3-methylbut-1-enyl]-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-[(E)-3-methylbut-1-enyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-2-[(E)-3-methylbut-1-enyl]-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-[(E)-3-methylbut-1-enyl]-1,3-benzothiazol-3-ium Formula: C13H16NS+ MolecularWeight: 218.33784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)/C=C/C1=[N+](C2=CC=CC=C2S1)C

InChI

InChI=1S/C13H16NS/c1-10(2)8-9-13-14(3)11-6-4-5-7-12(11)15-13/h4-10H,1-3H3/q+1/b9-8+