3-ethyl-2,5,7-trimethyl-1,3-benzothiazol-3-ium

Systemtic Name: 3-ethyl-2,5,7-trimethyl-1,3-benzothiazol-3-ium Openeye Name: 3-ethyl-2,5,7-trimethyl-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-2,5,7-trimethyl-1,3-benzothiazol-3-ium IUPAC Name: 3-ethyl-2,5,7-trimethyl-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-2,5,7-trimethyl-1,3-benzothiazol-3-ium Formula: C12H16NS+ MolecularWeight: 206.32714

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C(C=C(C=C21)C)C)C

Isomeric SMILES

CC[N+]1=C(SC2=C(C=C(C=C21)C)C)C

InChI

InChI=1S/C12H16NS/c1-5-13-10(4)14-12-9(3)6-8(2)7-11(12)13/h6-7H,5H2,1-4H3/q+1