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3H-1,3-benzothiazole-2-thione; dodecyl(trimethyl)azanium

3H-1,3-benzothiazole-2-thione; dodecyl(trimethyl)azanium

Systemtic Name:3H-1,3-benzothiazole-2-thione; dodecyl(trimethyl)azanium
Openeye Name:3H-1,3-benzothiazole-2-thione; dodecyl(trimethyl)ammonium
CAS Name:3H-1,3-benzothiazole-2-thione; dodecyl(trimethyl)ammonium
IUPAC Name:3H-1,3-benzothiazole-2-thione; dodecyl(trimethyl)azanium
Traditional Name:3H-1,3-benzothiazole-2-thione; lauryl(trimethyl)ammonium
Formula: C22H39N2S2+
MolecularWeight: 395.68846
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)C.C1=CC=C2C(=C1)NC(=S)S2


Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)C.C1=CC=C2C(=C1)NC(=S)S2


InChI

InChI=1S/C15H34N.C7H5NS2/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;9-7-8-5-3-1-2-4-6(5)10-7/h5-15H2,1-4H3;1-4H,(H,8,9)/q+1;


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