methyl sulfate; trimethyl(1-phenylprop-2-enyl)azanium; chloride

Systemtic Name: methyl sulfate; trimethyl(1-phenylprop-2-enyl)azanium; chloride Openeye Name: methyl sulfate; trimethyl(1-phenylallyl)ammonium; chloride CAS Name: methyl sulfate; trimethyl(1-phenylprop-2-enyl)ammonium; chloride IUPAC Name: methyl sulfate; trimethyl(1-phenylprop-2-enyl)azanium; chloride Traditional Name: methyl sulfate; trimethyl(1-phenylallyl)ammonium; chloride Formula: C13H21ClNO4S- MolecularWeight: 322.82814

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(C=C)C1=CC=CC=C1.COS(=O)(=O)[O-].[Cl-]

Isomeric SMILES

C[N+](C)(C)C(C=C)C1=CC=CC=C1.COS(=O)(=O)[O-].[Cl-]

InChI

InChI=1S/C12H18N.CH4O4S.ClH/c1-5-12(13(2,3)4)11-9-7-6-8-10-11;1-5-6(2,3)4;/h5-10,12H,1H2,2-4H3;1H3,(H,2,3,4);1H/q+1;;/p-2