6-dodecyl-2,3-dimethyl-1,3-benzothiazol-3-ium

Systemtic Name: 6-dodecyl-2,3-dimethyl-1,3-benzothiazol-3-ium Openeye Name: 6-dodecyl-2,3-dimethyl-1,3-benzothiazol-3-ium CAS Name: 6-dodecyl-2,3-dimethyl-1,3-benzothiazol-3-ium IUPAC Name: 6-dodecyl-2,3-dimethyl-1,3-benzothiazol-3-ium Traditional Name: 6-lauryl-2,3-dimethyl-1,3-benzothiazol-3-ium Formula: C21H34NS+ MolecularWeight: 332.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC2=C(C=C1)[N+](=C(S2)C)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC2=C(C=C1)[N+](=C(S2)C)C

InChI

InChI=1S/C21H34NS/c1-4-5-6-7-8-9-10-11-12-13-14-19-15-16-20-21(17-19)23-18(2)22(20)3/h15-17H,4-14H2,1-3H3/q+1