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dodecyl-methyl-(3-methyl-1,3-benzothiazol-2-ylidene)azanium iodide

dodecyl-methyl-(3-methyl-1,3-benzothiazol-2-ylidene)azanium iodide

Systemtic Name:dodecyl-methyl-(3-methyl-1,3-benzothiazol-2-ylidene)azanium iodide
Openeye Name:dodecyl-methyl-(3-methyl-1,3-benzothiazol-2-ylidene)ammonium iodide
CAS Name:dodecyl-methyl-(3-methyl-1,3-benzothiazol-2-ylidene)ammonium iodide
IUPAC Name:dodecyl-methyl-(3-methyl-1,3-benzothiazol-2-ylidene)azanium iodide
Traditional Name:lauryl-methyl-(3-methyl-1,3-benzothiazol-2-ylidene)ammonium iodide
Formula: C21H35IN2S
MolecularWeight: 474.48547
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](=C1N(C2=CC=CC=C2S1)C)C.[I-]


Isomeric SMILES

CCCCCCCCCCCC[N+](=C1N(C2=CC=CC=C2S1)C)C.[I-]


InChI

InChI=1S/C21H35N2S.HI/c1-4-5-6-7-8-9-10-11-12-15-18-22(2)21-23(3)19-16-13-14-17-20(19)24-21;/h13-14,16-17H,4-12,15,18H2,1-3H3;1H/q+1;/p-1


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