1-methyl-6-oxidanylidene-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridazine-3-carboxamide

Systemtic Name: 1-methyl-6-oxidanylidene-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridazine-3-carboxamide Openeye Name: 1-methyl-6-oxo-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridazine-3-carboxamide CAS Name: 1-methyl-6-oxo-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3-pyridazinecarboxamide IUPAC Name: 1-methyl-6-oxo-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridazine-3-carboxamide Traditional Name: 6-keto-1-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridazine-3-carboxamide Formula: C19H25N4O2+ MolecularWeight: 341.4274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O2/c1-22-18(24)10-9-17(21-22)19(25)20-16-8-5-12-23(14-16)13-11-15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-14H2,1H3,(H,20,25)/p+1/t16-/m0/s1