1-[(1-oxidanylidenephthalazin-2-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1-oxidanylidenephthalazin-2-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1-oxophthalazin-2-yl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[[(2R)-2-oxolanyl]methyl]-1-[(1-oxo-2-phthalazinyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[[(2R)-oxolan-2-yl]methyl]-1-[(1-oxophthalazin-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1-ketophthalazin-2-yl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1C[C@@H](OC1)CNC(=O)C2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C20H26N4O3/c25-19(21-13-17-5-3-11-27-17)15-7-9-23(10-8-15)14-24-20(26)18-6-2-1-4-16(18)12-22-24/h1-2,4,6,12,15,17H,3,5,7-11,13-14H2,(H,21,25)/p+1/t17-/m1/s1