6-[cyclopropyl(ethanoyl)amino]-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-diazonium tetrafluoroborate

Systemtic Name: 6-[cyclopropyl(ethanoyl)amino]-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-diazonium tetrafluoroborate Openeye Name: 6-[acetyl(cyclopropyl)amino]-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-diazonium tetrafluoroborate CAS Name: 6-[acetyl(cyclopropyl)amino]-2-(4-ethoxycarbonyl-1-piperazinyl)-3-pyridinediazonium tetrafluoroborate IUPAC Name: 6-[acetyl(cyclopropyl)amino]-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-diazonium tetrafluoroborate Traditional Name: 6-[acetyl(cyclopropyl)amino]-2-(4-carbethoxypiperazino)pyridine-3-diazonium tetrafluoroborate Formula: C17H23BF4N6O3 MolecularWeight: 446.207533

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)N1CCN(CC1)C2=C(C=CC(=N2)N(C3CC3)C(=O)C)[N+]#N

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)N1CCN(CC1)C2=C(C=CC(=N2)N(C3CC3)C(=O)C)[N+]#N

InChI

InChI=1S/C17H23N6O3.BF4/c1-3-26-17(25)22-10-8-21(9-11-22)16-14(20-18)6-7-15(19-16)23(12(2)24)13-4-5-13;2-1(3,4)5/h6-7,13H,3-5,8-11H2,1-2H3;/q+1;-1