6-acetamido-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-diazonium tetrafluoroborate

Systemtic Name: 6-acetamido-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-diazonium tetrafluoroborate Openeye Name: 6-acetamido-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-diazonium tetrafluoroborate CAS Name: 6-acetamido-2-(4-ethoxycarbonyl-1-piperazinyl)-3-pyridinediazonium tetrafluoroborate IUPAC Name: 6-acetamido-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-diazonium tetrafluoroborate Traditional Name: 6-acetamido-2-(4-carbethoxypiperazino)pyridine-3-diazonium tetrafluoroborate Formula: C14H19BF4N6O3 MolecularWeight: 406.143673

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)N1CCN(CC1)C2=C(C=CC(=N2)NC(=O)C)[N+]#N

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)N1CCN(CC1)C2=C(C=CC(=N2)NC(=O)C)[N+]#N

InChI

InChI=1S/C14H18N6O3.BF4/c1-3-23-14(22)20-8-6-19(7-9-20)13-11(18-15)4-5-12(17-13)16-10(2)21;2-1(3,4)5/h4-5H,3,6-9H2,1-2H3;/q;-1/p+1