ethyl 1-[(1-oxidanylidenephthalazin-2-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(1-oxidanylidenephthalazin-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1-oxophthalazin-2-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1-oxo-2-phthalazinyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-oxophthalazin-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1-ketophthalazin-2-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3/c1-2-23-17(22)13-7-9-19(10-8-13)12-20-16(21)15-6-4-3-5-14(15)11-18-20/h3-6,11,13H,2,7-10,12H2,1H3/p+1