3-ethyl-N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-ethyl-N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-ethyl-N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-ethyl-N-[2-(1-methyl-4-piperidin-1-iumyl)-3-pyrazolyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-ethyl-N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-ethyl-4-keto-N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]phthalazine-1-carboxamide Formula: C20H25N6O2+ MolecularWeight: 381.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=NN3C4CC[NH+](CC4)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=NN3C4CC[NH+](CC4)C

InChI

InChI=1S/C20H24N6O2/c1-3-25-20(28)16-7-5-4-6-15(16)18(23-25)19(27)22-17-8-11-21-26(17)14-9-12-24(2)13-10-14/h4-8,11,14H,3,9-10,12-13H2,1-2H3,(H,22,27)/p+1