3-methyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[2-methyl-2-(1-piperidin-1-iumyl)propyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)phthalazine-1-carboxamide Formula: C19H27N4O2+ MolecularWeight: 343.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C)[NH+]3CCCCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C)[NH+]3CCCCC3

InChI

InChI=1S/C19H26N4O2/c1-19(2,23-11-7-4-8-12-23)13-20-17(24)16-14-9-5-6-10-15(14)18(25)22(3)21-16/h5-6,9-10H,4,7-8,11-13H2,1-3H3,(H,20,24)/p+1