3-(1,3-benzothiazol-2-ylsulfanyl)propyl-dimethyl-azanium

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)propyl-dimethyl-azanium Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)propyl-dimethyl-ammonium CAS Name: 3-(1,3-benzothiazol-2-ylthio)propyl-dimethylammonium IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)propyl-dimethylazanium Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propyl-dimethyl-ammonium Formula: C12H17N2S2+ MolecularWeight: 253.40678

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

C[NH+](C)CCCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H16N2S2/c1-14(2)8-5-9-15-12-13-10-6-3-4-7-11(10)16-12/h3-4,6-7H,5,8-9H2,1-2H3/p+1