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

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

Systemtic Name:2-[1,3-benzothiazol-2-yl(pentanoyl)amino]ethyl-diethyl-azanium
Openeye Name:2-[1,3-benzothiazol-2-yl(pentanoyl)amino]ethyl-diethyl-ammonium
CAS Name:2-[1,3-benzothiazol-2-yl(1-oxopentyl)amino]ethyl-diethylammonium
IUPAC Name:2-[1,3-benzothiazol-2-yl(pentanoyl)amino]ethyl-diethylazanium
Traditional Name:2-[1,3-benzothiazol-2-yl(valeryl)amino]ethyl-diethyl-ammonium
Formula: C18H28N3OS+
MolecularWeight: 334.49942
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC[NH+](CC)CC)C1=NC2=CC=CC=C2S1


Isomeric SMILES

CCCCC(=O)N(CC[NH+](CC)CC)C1=NC2=CC=CC=C2S1


InChI

InChI=1S/C18H27N3OS/c1-4-7-12-17(22)21(14-13-20(5-2)6-3)18-19-15-10-8-9-11-16(15)23-18/h8-11H,4-7,12-14H2,1-3H3/p+1


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