ethyl 1-[[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[4-(methylcarbamoyl)-1-oxo-phthalazin-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-(methylcarbamoyl)-1-oxo-2-phthalazinyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-(methylcarbamoyl)-1-oxophthalazin-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[1-keto-4-(methylcarbamoyl)phthalazin-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H25N4O4+ MolecularWeight: 373.4262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC

InChI

InChI=1S/C19H24N4O4/c1-3-27-19(26)13-8-10-22(11-9-13)12-23-18(25)15-7-5-4-6-14(15)16(21-23)17(24)20-2/h4-7,13H,3,8-12H2,1-2H3,(H,20,24)/p+1