2-(4-isothiocyanatophenyl)ethyl-trimethyl-azanium chloride

Systemtic Name: 2-(4-isothiocyanatophenyl)ethyl-trimethyl-azanium chloride Openeye Name: 2-(4-isothiocyanatophenyl)ethyl-trimethyl-ammonium chloride CAS Name: 2-(4-isothiocyanatophenyl)ethyl-trimethylammonium chloride IUPAC Name: 2-(4-isothiocyanatophenyl)ethyl-trimethylazanium chloride Traditional Name: 2-(4-isothiocyanatophenyl)ethyl-trimethyl-ammonium chloride Formula: C12H17ClN2S MolecularWeight: 256.79478

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCC1=CC=C(C=C1)N=C=S.[Cl-]

Isomeric SMILES

C[N+](C)(C)CCC1=CC=C(C=C1)N=C=S.[Cl-]

InChI

InChI=1S/C12H17N2S.ClH/c1-14(2,3)9-8-11-4-6-12(7-5-11)13-10-15;/h4-7H,8-9H2,1-3H3;1H/q+1;/p-1