N-(1-methylpiperidin-1-ium-4-yl)-6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxamide

Systemtic Name: N-(1-methylpiperidin-1-ium-4-yl)-6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxamide Openeye Name: N-(1-methylpiperidin-1-ium-4-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide CAS Name: N-(1-methyl-4-piperidin-1-iumyl)-6-oxo-1-(2-phenoxyethyl)-3-pyridazinecarboxamide IUPAC Name: N-(1-methylpiperidin-1-ium-4-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide Traditional Name: 6-keto-N-(1-methylpiperidin-1-ium-4-yl)-1-(2-phenoxyethyl)pyridazine-3-carboxamide Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O3/c1-22-11-9-15(10-12-22)20-19(25)17-7-8-18(24)23(21-17)13-14-26-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,20,25)/p+1