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

Systemtic Name: 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(1,4-diketo-3H-phthalazin-2-yl)acetamide Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3/c27-20(15-26-22(29)19-9-5-4-8-18(19)21(28)24-26)23-17-10-12-25(13-11-17)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,23,27)(H,24,28)/p+1