N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]acetamide Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CC2=NNC(=O)C3=CC=CC=C32)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CC2=NNC(=O)C3=CC=CC=C32)[NH+]4CCCCC4

InChI

InChI=1S/C24H28N4O3/c1-31-18-11-9-17(10-12-18)22(28-13-5-2-6-14-28)16-25-23(29)15-21-19-7-3-4-8-20(19)24(30)27-26-21/h3-4,7-12,22H,2,5-6,13-16H2,1H3,(H,25,29)(H,27,30)/p+1/t22-/m0/s1