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

Systemtic Name: 1-[(1-oxidanylidenephthalazin-2-yl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(1-oxophthalazin-2-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(1-oxo-2-phthalazinyl)methyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(1-oxophthalazin-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(1-ketophthalazin-2-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C22H24N4O2/c27-21(23-14-17-6-2-1-3-7-17)18-10-12-25(13-11-18)16-26-22(28)20-9-5-4-8-19(20)15-24-26/h1-9,15,18H,10-14,16H2,(H,23,27)/p+1