[4-(dimethylamino)pyridin-1-ium-1-yl] ethanoate

Systemtic Name: [4-(dimethylamino)pyridin-1-ium-1-yl] ethanoate Openeye Name: [4-(dimethylamino)pyridin-1-ium-1-yl] acetate CAS Name: acetic acid [4-(dimethylamino)-1-pyridin-1-iumyl] ester IUPAC Name: [4-(dimethylamino)pyridin-1-ium-1-yl] acetate Traditional Name: acetic acid [4-(dimethylamino)pyridin-1-ium-1-yl] ester Formula: C9H13N2O2+ MolecularWeight: 181.21172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O[N+]1=CC=C(C=C1)N(C)C

Isomeric SMILES

CC(=O)O[N+]1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C9H13N2O2/c1-8(12)13-11-6-4-9(5-7-11)10(2)3/h4-7H,1-3H3/q+1