[2-(3-ethanoyl-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)phenyl] ethanoate

Systemtic Name: [2-(3-ethanoyl-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)phenyl] ethanoate Openeye Name: [2-(3-acetyl-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)phenyl] acetate CAS Name: acetic acid [2-(3-acetyl-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)phenyl] ester IUPAC Name: [2-(3-acetyl-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)phenyl] acetate Traditional Name: acetic acid [2-(3-acetyl-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)phenyl] ester Formula: C14H17N2O3+ MolecularWeight: 261.29638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]1=C(NCCC1)C2=CC=CC=C2OC(=O)C

Isomeric SMILES

CC(=O)[N+]1=C(NCCC1)C2=CC=CC=C2OC(=O)C

InChI

InChI=1S/C14H16N2O3/c1-10(17)16-9-5-8-15-14(16)12-6-3-4-7-13(12)19-11(2)18/h3-4,6-7H,5,8-9H2,1-2H3/p+1