2-(4-oxidanylidene-3H-phthalazin-1-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-(4-oxidanylidene-3H-phthalazin-1-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-keto-3H-phthalazin-1-yl)acetamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CC2=NNC(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CC2=NNC(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

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