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2-[3-(azepan-1-ium-1-yl)propylsulfanyl]-1,3-benzothiazole

2-[3-(azepan-1-ium-1-yl)propylsulfanyl]-1,3-benzothiazole

Systemtic Name:2-[3-(azepan-1-ium-1-yl)propylsulfanyl]-1,3-benzothiazole
Openeye Name:2-[3-(azepan-1-ium-1-yl)propylsulfanyl]-1,3-benzothiazole
CAS Name:2-[3-(1-azepan-1-iumyl)propylthio]-1,3-benzothiazole
IUPAC Name:2-[3-(azepan-1-ium-1-yl)propylsulfanyl]-1,3-benzothiazole
Traditional Name:2-[3-(azepan-1-ium-1-yl)propylthio]-1,3-benzothiazole
Formula: C16H23N2S2+
MolecularWeight: 307.49722
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCSC2=NC3=CC=CC=C3S2


Isomeric SMILES

C1CCC[NH+](CC1)CCCSC2=NC3=CC=CC=C3S2


InChI

InChI=1S/C16H22N2S2/c1-2-6-11-18(10-5-1)12-7-13-19-16-17-14-8-3-4-9-15(14)20-16/h3-4,8-9H,1-2,5-7,10-13H2/p+1


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