(phenylmethyl) ethanoate; pyridin-1-ium; bromide

Systemtic Name: (phenylmethyl) ethanoate; pyridin-1-ium; bromide Openeye Name: benzyl acetate; pyridin-1-ium; bromide CAS Name: acetic acid (phenylmethyl) ester; pyridin-1-ium; bromide IUPAC Name: benzyl acetate; pyridin-1-ium; bromide Traditional Name: acetic acid benzyl ester; pyridin-1-ium; bromide Formula: C14H16BrNO2 MolecularWeight: 310.18634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=CC=C1.C1=CC=[NH+]C=C1.[Br-]

Isomeric SMILES

CC(=O)OCC1=CC=CC=C1.C1=CC=[NH+]C=C1.[Br-]

InChI

InChI=1S/C9H10O2.C5H5N.BrH/c1-8(10)11-7-9-5-3-2-4-6-9;1-2-4-6-5-3-1;/h2-6H,7H2,1H3;1-5H;1H