N-(1,3-benzodioxol-5-yl)-1-[(1-oxidanylidenephthalazin-2-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(1-oxidanylidenephthalazin-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(1-oxophthalazin-2-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(1-oxo-2-phthalazinyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(1-oxophthalazin-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(1-ketophthalazin-2-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C22H23N4O4+ MolecularWeight: 407.44242

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CN4C(=O)C5=CC=CC=C5C=N4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CN4C(=O)C5=CC=CC=C5C=N4

InChI

InChI=1S/C22H22N4O4/c27-21(24-17-5-6-19-20(11-17)30-14-29-19)15-7-9-25(10-8-15)13-26-22(28)18-4-2-1-3-16(18)12-23-26/h1-6,11-12,15H,7-10,13-14H2,(H,24,27)/p+1