(4-chlorophenyl)-phenyl-methanone; trimethyl(2-prop-2-enoyloxyethyl)azanium; bromide

Systemtic Name: (4-chlorophenyl)-phenyl-methanone; trimethyl(2-prop-2-enoyloxyethyl)azanium; bromide Openeye Name: (4-chlorophenyl)-phenyl-methanone; trimethyl(2-prop-2-enoyloxyethyl)ammonium; bromide CAS Name: (4-chlorophenyl)-phenylmethanone; trimethyl-[2-(1-oxoprop-2-enoxy)ethyl]ammonium; bromide IUPAC Name: (4-chlorophenyl)-phenylmethanone; trimethyl(2-prop-2-enoyloxyethyl)azanium; bromide Traditional Name: 2-acryloyloxyethyl(trimethyl)ammonium; (4-chlorophenyl)-phenyl-methanone; bromide Formula: C21H25BrClNO3 MolecularWeight: 454.7851

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC(=O)C=C.C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl.[Br-]

Isomeric SMILES

C[N+](C)(C)CCOC(=O)C=C.C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl.[Br-]

InChI

InChI=1S/C13H9ClO.C8H16NO2.BrH/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;1-5-8(10)11-7-6-9(2,3)4;/h1-9H;5H,1,6-7H2,2-4H3;1H/q;+1;/p-1