N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide

Systemtic Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[(2S)-2-(5-methyl-2-furanyl)-2-(4-morpholin-4-iumyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-ylethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)-N-[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]acetamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)CC2=NNC(=O)C3=CC=CC=C32)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC(=O)CC2=NNC(=O)C3=CC=CC=C32)[NH+]4CCOCC4

InChI

InChI=1S/C21H24N4O4/c1-14-6-7-19(29-14)18(25-8-10-28-11-9-25)13-22-20(26)12-17-15-4-2-3-5-16(15)21(27)24-23-17/h2-7,18H,8-13H2,1H3,(H,22,26)(H,24,27)/p+1/t18-/m0/s1