dimethyl-[[4-(phenylcarbonyl)phenyl]methyl]azanium; ethyl prop-2-enoate; chloride

Systemtic Name: dimethyl-[[4-(phenylcarbonyl)phenyl]methyl]azanium; ethyl prop-2-enoate; chloride Openeye Name: (4-benzoylphenyl)methyl-dimethyl-ammonium; ethyl prop-2-enoate; chloride CAS Name: (4-benzoylphenyl)methyl-dimethylammonium; 2-propenoic acid ethyl ester; chloride IUPAC Name: (4-benzoylphenyl)methyl-dimethylazanium; ethyl prop-2-enoate; chloride Traditional Name: acrylic acid ethyl ester; (4-benzoylbenzyl)-dimethyl-ammonium; chloride Formula: C21H26ClNO3 MolecularWeight: 375.88904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C.C[NH+](C)CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCOC(=O)C=C.C[NH+](C)CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C16H17NO.C5H8O2.ClH/c1-17(2)12-13-8-10-15(11-9-13)16(18)14-6-4-3-5-7-14;1-3-5(6)7-4-2;/h3-11H,12H2,1-2H3;3H,1,4H2,2H3;1H