[2-acetyloxy-4-(4-chloranyl-1-methyl-pyridin-1-ium-2-yl)phenyl] ethanoate tetrafluoroborate

Systemtic Name: [2-acetyloxy-4-(4-chloranyl-1-methyl-pyridin-1-ium-2-yl)phenyl] ethanoate tetrafluoroborate Openeye Name: [2-acetoxy-4-(4-chloro-1-methyl-pyridin-1-ium-2-yl)phenyl] acetate tetrafluoroborate CAS Name: acetic acid [2-acetyloxy-4-(4-chloro-1-methyl-2-pyridin-1-iumyl)phenyl] ester tetrafluoroborate IUPAC Name: [2-acetyloxy-4-(4-chloro-1-methylpyridin-1-ium-2-yl)phenyl] acetate tetrafluoroborate Traditional Name: acetic acid [2-acetoxy-4-(4-chloro-1-methyl-pyridin-1-ium-2-yl)phenyl] ester tetrafluoroborate Formula: C16H15BClF4NO4 MolecularWeight: 407.552213

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(=O)OC1=C(C=C(C=C1)C2=[N+](C=CC(=C2)Cl)C)OC(=O)C

Isomeric SMILES

[B-](F)(F)(F)F.CC(=O)OC1=C(C=C(C=C1)C2=[N+](C=CC(=C2)Cl)C)OC(=O)C

InChI

InChI=1S/C16H15ClNO4.BF4/c1-10(19)21-15-5-4-12(8-16(15)22-11(2)20)14-9-13(17)6-7-18(14)3;2-1(3,4)5/h4-9H,1-3H3;/q+1;-1