trioctyl-[(2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)methyl]azanium

Systemtic Name: trioctyl-[(2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)methyl]azanium Openeye Name: trioctyl-[(2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)methyl]ammonium CAS Name: trioctyl-[(2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)methyl]ammonium IUPAC Name: trioctyl-[(2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)methyl]azanium Traditional Name: (2-keto-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)methyl-trioctyl-ammonium Formula: C32H63N2OS+ MolecularWeight: 523.92042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CN1C2CCCCC2SC1=O

Isomeric SMILES

CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CN1C2CCCCC2SC1=O

InChI

InChI=1S/C32H63N2OS/c1-4-7-10-13-16-21-26-34(27-22-17-14-11-8-5-2,28-23-18-15-12-9-6-3)29-33-30-24-19-20-25-31(30)36-32(33)35/h30-31H,4-29H2,1-3H3/q+1