N-[1-[(1-oxidanylidenephthalazin-2-yl)methyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[(1-oxidanylidenephthalazin-2-yl)methyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[(1-oxophthalazin-2-yl)methyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[(1-oxo-2-phthalazinyl)methyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[(1-oxophthalazin-2-yl)methyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[(1-ketophthalazin-2-yl)methyl]piperidin-1-ium-4-yl]benzamide Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C21H22N4O2/c26-20(16-6-2-1-3-7-16)23-18-10-12-24(13-11-18)15-25-21(27)19-9-5-4-8-17(19)14-22-25/h1-9,14,18H,10-13,15H2,(H,23,26)/p+1