1-(4-methoxyphenyl)-4-oxidanylidene-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]pyridazine-3-carboxamide

Systemtic Name: 1-(4-methoxyphenyl)-4-oxidanylidene-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]pyridazine-3-carboxamide Openeye Name: 1-(4-methoxyphenyl)-4-oxo-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]pyridazine-3-carboxamide CAS Name: 1-(4-methoxyphenyl)-4-oxo-N-[(2R)-2-phenyl-2-(1-piperidin-1-iumyl)ethyl]-3-pyridazinecarboxamide IUPAC Name: 1-(4-methoxyphenyl)-4-oxo-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-ylethyl]pyridazine-3-carboxamide Traditional Name: 4-keto-1-(4-methoxyphenyl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]pyridazine-3-carboxamide Formula: C25H29N4O3+ MolecularWeight: 433.52276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NCC(C3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C25H28N4O3/c1-32-21-12-10-20(11-13-21)29-17-14-23(30)24(27-29)25(31)26-18-22(19-8-4-2-5-9-19)28-15-6-3-7-16-28/h2,4-5,8-14,17,22H,3,6-7,15-16,18H2,1H3,(H,26,31)/p+1/t22-/m0/s1