dimethyl-(phenylmethyl)azanium; ethyl prop-2-enoate; methyl sulfate

Systemtic Name: dimethyl-(phenylmethyl)azanium; ethyl prop-2-enoate; methyl sulfate Openeye Name: benzyl(dimethyl)ammonium; ethyl prop-2-enoate; methyl sulfate CAS Name: dimethyl-(phenylmethyl)ammonium; methyl sulfate; 2-propenoic acid ethyl ester IUPAC Name: benzyl(dimethyl)azanium; ethyl prop-2-enoate; methyl sulfate Traditional Name: acrylic acid ethyl ester; benzyl(dimethyl)ammonium; methyl sulfate Formula: C15H25NO6S MolecularWeight: 347.4271

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C.C[NH+](C)CC1=CC=CC=C1.COS(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C=C.C[NH+](C)CC1=CC=CC=C1.COS(=O)(=O)[O-]

InChI

InChI=1S/C9H13N.C5H8O2.CH4O4S/c1-10(2)8-9-6-4-3-5-7-9;1-3-5(6)7-4-2;1-5-6(2,3)4/h3-7H,8H2,1-2H3;3H,1,4H2,2H3;1H3,(H,2,3,4)