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3-hexadecyl-1,3-benzothiazol-3-ium chloride

3-hexadecyl-1,3-benzothiazol-3-ium chloride

Systemtic Name:3-hexadecyl-1,3-benzothiazol-3-ium chloride
Openeye Name:3-hexadecyl-1,3-benzothiazol-3-ium chloride
CAS Name:3-hexadecyl-1,3-benzothiazol-3-ium chloride
IUPAC Name:3-hexadecyl-1,3-benzothiazol-3-ium chloride
Traditional Name:3-cetyl-1,3-benzothiazol-3-ium chloride
Formula: C23H38ClNS
MolecularWeight: 396.07252
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CSC2=CC=CC=C21.[Cl-]


Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CSC2=CC=CC=C21.[Cl-]


InChI

InChI=1S/C23H38NS.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-24-21-25-23-19-16-15-18-22(23)24;/h15-16,18-19,21H,2-14,17,20H2,1H3;1H/q+1;/p-1


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