[4-oxidanylidene-3-(2-pyridin-2-ylethyl)phthalazin-1-yl]methylazanium

Systemtic Name: [4-oxidanylidene-3-(2-pyridin-2-ylethyl)phthalazin-1-yl]methylazanium Openeye Name: [4-oxo-3-[2-(2-pyridyl)ethyl]phthalazin-1-yl]methylammonium CAS Name: [4-oxo-3-[2-(2-pyridinyl)ethyl]-1-phthalazinyl]methylammonium IUPAC Name: [4-oxo-3-(2-pyridin-2-ylethyl)phthalazin-1-yl]methylazanium Traditional Name: [4-keto-3-[2-(2-pyridyl)ethyl]phthalazin-1-yl]methylammonium Formula: C16H17N4O+ MolecularWeight: 281.33238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCC3=CC=CC=N3)C[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCC3=CC=CC=N3)C[NH3+]

InChI

InChI=1S/C16H16N4O/c17-11-15-13-6-1-2-7-14(13)16(21)20(19-15)10-8-12-5-3-4-9-18-12/h1-7,9H,8,10-11,17H2/p+1