N-[2-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)ethyl]-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[2-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)ethyl]-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[2-(6-oxo-3-phenyl-pyridazin-1-yl)ethyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide CAS Name: N-[2-(6-oxo-3-phenyl-1-pyridazinyl)ethyl]-1-[2-(1-piperidin-1-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Traditional Name: N-[2-(6-keto-3-phenyl-pyridazin-1-yl)ethyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Formula: C22H28N7O2+ MolecularWeight: 422.50342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)NCCN3C(=O)C=CC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)NCCN3C(=O)C=CC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N7O2/c30-21-10-9-19(18-7-3-1-4-8-18)25-29(21)14-11-23-22(31)20-17-28(26-24-20)16-15-27-12-5-2-6-13-27/h1,3-4,7-10,17H,2,5-6,11-16H2,(H,23,31)/p+1