N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxamide

Systemtic Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxamide Openeye Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide CAS Name: N-[[2-(1-azocanyl)-3-pyridin-1-iumyl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide IUPAC Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide Traditional Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-6-keto-4,5-dihydro-1H-pyridazine-3-carboxamide Formula: C18H26N5O2+ MolecularWeight: 344.43134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=NNC(=O)CC3

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=NNC(=O)CC3

InChI

InChI=1S/C18H25N5O2/c24-16-9-8-15(21-22-16)18(25)20-13-14-7-6-10-19-17(14)23-11-4-2-1-3-5-12-23/h6-7,10H,1-5,8-9,11-13H2,(H,20,25)(H,22,24)/p+1