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2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethyl-(6-phenethyloxyhexyl)azanium chloride

2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethyl-(6-phenethyloxyhexyl)azanium chloride

Systemtic Name:2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethyl-(6-phenethyloxyhexyl)azanium chloride
Openeye Name:2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl-(6-phenethyloxyhexyl)ammonium chloride
CAS Name:2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl-(6-phenethyloxyhexyl)ammonium chloride
IUPAC Name:2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl-(6-phenethyloxyhexyl)azanium chloride
Traditional Name:2-(4-hydroxy-2-keto-3H-1,3-benzothiazol-7-yl)ethyl-(6-phenethyloxyhexyl)ammonium chloride
Formula: C23H31ClN2O3S
MolecularWeight: 451.02184
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOCCCCCC[NH2+]CCC2=C3C(=C(C=C2)O)NC(=O)S3.[Cl-]


Isomeric SMILES

C1=CC=C(C=C1)CCOCCCCCC[NH2+]CCC2=C3C(=C(C=C2)O)NC(=O)S3.[Cl-]


InChI

InChI=1S/C23H30N2O3S.ClH/c26-20-11-10-19(22-21(20)25-23(27)29-22)12-15-24-14-6-1-2-7-16-28-17-13-18-8-4-3-5-9-18;/h3-5,8-11,24,26H,1-2,6-7,12-17H2,(H,25,27);1H


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