methylazanium; phenethyl prop-2-enoate; bromide

Systemtic Name: methylazanium; phenethyl prop-2-enoate; bromide Openeye Name: methylammonium; phenethyl prop-2-enoate; bromide CAS Name: methylammonium; 2-propenoic acid phenethyl ester; bromide IUPAC Name: methylazanium; phenethyl prop-2-enoate; bromide Traditional Name: acrylic acid phenethyl ester; methylammonium; bromide Formula: C12H18BrNO2 MolecularWeight: 288.18082

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Descriptors Computed from Structure

Canonical SMILES:

C[NH3+].C=CC(=O)OCCC1=CC=CC=C1.[Br-]

Isomeric SMILES

C[NH3+].C=CC(=O)OCCC1=CC=CC=C1.[Br-]

InChI

InChI=1S/C11H12O2.CH5N.BrH/c1-2-11(12)13-9-8-10-6-4-3-5-7-10;1-2;/h2-7H,1,8-9H2;2H2,1H3;1H