methyl 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carboxylate tetrafluoroborate

Systemtic Name: methyl 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carboxylate tetrafluoroborate Openeye Name: methyl 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carboxylate tetrafluoroborate CAS Name: 1-[(4-nitrophenyl)methyl]-4-pyridin-1-iumcarboxylic acid methyl ester tetrafluoroborate IUPAC Name: methyl 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carboxylate tetrafluoroborate Traditional Name: 1-(4-nitrobenzyl)pyridin-1-ium-4-carboxylic acid methyl ester tetrafluoroborate Formula: C14H13BF4N2O4 MolecularWeight: 360.068633

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.COC(=O)C1=CC=[N+](C=C1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

[B-](F)(F)(F)F.COC(=O)C1=CC=[N+](C=C1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N2O4.BF4/c1-20-14(17)12-6-8-15(9-7-12)10-11-2-4-13(5-3-11)16(18)19;2-1(3,4)5/h2-9H,10H2,1H3;/q+1;-1