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

Systemtic Name: N,1-dimethyl-6-oxidanylidene-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridazine-3-carboxamide Openeye Name: N,1-dimethyl-6-oxo-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridazine-3-carboxamide CAS Name: N,1-dimethyl-6-oxo-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3-pyridazinecarboxamide IUPAC Name: N,1-dimethyl-6-oxo-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridazine-3-carboxamide Traditional Name: 6-keto-N,1-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridazine-3-carboxamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)N(C)C2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2/c1-22(20(26)18-10-11-19(25)23(2)21-18)17-9-6-13-24(15-17)14-12-16-7-4-3-5-8-16/h3-5,7-8,10-11,17H,6,9,12-15H2,1-2H3/p+1/t17-/m0/s1