[3-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanyl-propyl]-dibutyl-methyl-azanium

Systemtic Name: [3-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanyl-propyl]-dibutyl-methyl-azanium Openeye Name: [3-(1,3-benzothiazol-2-ylsulfanyl)-2-hydroxy-propyl]-dibutyl-methyl-ammonium CAS Name: [3-(1,3-benzothiazol-2-ylthio)-2-hydroxypropyl]-dibutyl-methylammonium IUPAC Name: [3-(1,3-benzothiazol-2-ylsulfanyl)-2-hydroxypropyl]-dibutyl-methylazanium Traditional Name: [3-(1,3-benzothiazol-2-ylthio)-2-hydroxy-propyl]-dibutyl-methyl-ammonium Formula: C19H31N2OS2+ MolecularWeight: 367.59224

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(CCCC)CC(CSC1=NC2=CC=CC=C2S1)O

Isomeric SMILES

CCCC[N+](C)(CCCC)CC(CSC1=NC2=CC=CC=C2S1)O

InChI

InChI=1S/C19H31N2OS2/c1-4-6-12-21(3,13-7-5-2)14-16(22)15-23-19-20-17-10-8-9-11-18(17)24-19/h8-11,16,22H,4-7,12-15H2,1-3H3/q+1