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2-[1,3-benzothiazol-2-yl(3-phenoxypropanoyl)amino]ethyl-diethyl-azanium

2-[1,3-benzothiazol-2-yl(3-phenoxypropanoyl)amino]ethyl-diethyl-azanium

Systemtic Name:2-[1,3-benzothiazol-2-yl(3-phenoxypropanoyl)amino]ethyl-diethyl-azanium
Openeye Name:2-[1,3-benzothiazol-2-yl(3-phenoxypropanoyl)amino]ethyl-diethyl-ammonium
CAS Name:2-[1,3-benzothiazol-2-yl-(1-oxo-3-phenoxypropyl)amino]ethyl-diethylammonium
IUPAC Name:2-[1,3-benzothiazol-2-yl(3-phenoxypropanoyl)amino]ethyl-diethylazanium
Traditional Name:2-[1,3-benzothiazol-2-yl(3-phenoxypropanoyl)amino]ethyl-diethyl-ammonium
Formula: C22H28N3O2S+
MolecularWeight: 398.54162
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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)CCOC3=CC=CC=C3


Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)CCOC3=CC=CC=C3


InChI

InChI=1S/C22H27N3O2S/c1-3-24(4-2)15-16-25(22-23-19-12-8-9-13-20(19)28-22)21(26)14-17-27-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3/p+1


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