N-[3,5-di(pyridin-1-ium-1-yl)-1,2,4-triazol-1-yl]pyridine-4-carboxamide dichloride

Systemtic Name: N-[3,5-di(pyridin-1-ium-1-yl)-1,2,4-triazol-1-yl]pyridine-4-carboxamide dichloride Openeye Name: N-[3,5-di(pyridin-1-ium-1-yl)-1,2,4-triazol-1-yl]pyridine-4-carboxamide dichloride CAS Name: N-[3,5-bis(1-pyridin-1-iumyl)-1,2,4-triazol-1-yl]-4-pyridinecarboxamide dichloride IUPAC Name: N-[3,5-di(pyridin-1-ium-1-yl)-1,2,4-triazol-1-yl]pyridine-4-carboxamide dichloride Traditional Name: N-[3,5-di(pyridin-1-ium-1-yl)-1,2,4-triazol-1-yl]isonicotinamide dichloride Formula: C18H15Cl2N7O MolecularWeight: 416.264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=NN(C(=N2)[N+]3=CC=CC=C3)NC(=O)C4=CC=NC=C4.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=[N+](C=C1)C2=NN(C(=N2)[N+]3=CC=CC=C3)NC(=O)C4=CC=NC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C18H14N7O.2ClH/c26-16(15-7-9-19-10-8-15)21-25-18(24-13-5-2-6-14-24)20-17(22-25)23-11-3-1-4-12-23;;/h1-14H;2*1H/q+1;;/p-1