4-tert-butyl-1-(phenylmethyl)pyridin-1-ium-3-carboxamide tetrafluoroborate

Systemtic Name: 4-tert-butyl-1-(phenylmethyl)pyridin-1-ium-3-carboxamide tetrafluoroborate Openeye Name: 1-benzyl-4-tert-butyl-pyridin-1-ium-3-carboxamide tetrafluoroborate CAS Name: 4-tert-butyl-1-(phenylmethyl)-3-pyridin-1-iumcarboxamide tetrafluoroborate IUPAC Name: 1-benzyl-4-tert-butylpyridin-1-ium-3-carboxamide tetrafluoroborate Traditional Name: 1-benzyl-4-tert-butyl-pyridin-1-ium-3-carboxamide tetrafluoroborate Formula: C17H21BF4N2O MolecularWeight: 356.166053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O.BF4/c1-17(2,3)15-9-10-19(12-14(15)16(18)20)11-13-7-5-4-6-8-13;2-1(3,4)5/h4-10,12H,11H2,1-3H3,(H-,18,20);/q;-1/p+1