methyl-(3-methyl-1,3-benzothiazol-2-ylidene)-octyl-azanium iodide

Systemtic Name: methyl-(3-methyl-1,3-benzothiazol-2-ylidene)-octyl-azanium iodide Openeye Name: methyl-(3-methyl-1,3-benzothiazol-2-ylidene)-octyl-ammonium iodide CAS Name: methyl-(3-methyl-1,3-benzothiazol-2-ylidene)-octylammonium iodide IUPAC Name: methyl-(3-methyl-1,3-benzothiazol-2-ylidene)-octylazanium iodide Traditional Name: methyl-(3-methyl-1,3-benzothiazol-2-ylidene)-octyl-ammonium iodide Formula: C17H27IN2S MolecularWeight: 418.37915

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](=C1N(C2=CC=CC=C2S1)C)C.[I-]

Isomeric SMILES

CCCCCCCC[N+](=C1N(C2=CC=CC=C2S1)C)C.[I-]

InChI

InChI=1S/C17H27N2S.HI/c1-4-5-6-7-8-11-14-18(2)17-19(3)15-12-9-10-13-16(15)20-17;/h9-10,12-13H,4-8,11,14H2,1-3H3;1H/q+1;/p-1