N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide Traditional Name: 6-keto-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide Formula: C19H27N4O3+ MolecularWeight: 359.44268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=NNC(=O)CC2)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=NNC(=O)CC2)[NH+]3CCCCC3

InChI

InChI=1S/C19H26N4O3/c1-26-15-7-5-14(6-8-15)17(23-11-3-2-4-12-23)13-20-19(25)16-9-10-18(24)22-21-16/h5-8,17H,2-4,9-13H2,1H3,(H,20,25)(H,22,24)/p+1/t17-/m0/s1