2,4,6-trimethyl-1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyridin-1-ium tetrafluoroborate

Systemtic Name: 2,4,6-trimethyl-1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyridin-1-ium tetrafluoroborate Openeye Name: 2,4,6-trimethyl-1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyridin-1-ium tetrafluoroborate CAS Name: 2,4,6-trimethyl-1-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]pyridin-1-ium tetrafluoroborate IUPAC Name: 2,4,6-trimethyl-1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]pyridin-1-ium tetrafluoroborate Traditional Name: 2,4,6-trimethyl-1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyridin-1-ium tetrafluoroborate Formula: C14H19BF4N4O2 MolecularWeight: 362.130873

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=CC(=[N+](C(=C1)C)CCN2C(=NC=C2[N+](=O)[O-])C)C

Isomeric SMILES

[B-](F)(F)(F)F.CC1=CC(=[N+](C(=C1)C)CCN2C(=NC=C2[N+](=O)[O-])C)C

InChI

InChI=1S/C14H19N4O2.BF4/c1-10-7-11(2)16(12(3)8-10)5-6-17-13(4)15-9-14(17)18(19)20;2-1(3,4)5/h7-9H,5-6H2,1-4H3;/q+1;-1