3-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4-oxo-phthalazin-1-olate CAS Name: 3-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4-oxo-1-phthalazinolate IUPAC Name: 3-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4-oxophthalazin-1-olate Traditional Name: 3-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4-keto-phthalazin-1-olate Formula: C16H19N3O4 MolecularWeight: 317.33976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC12OCCO2)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C1C[NH+](CCC12OCCO2)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C16H19N3O4/c20-14-12-3-1-2-4-13(12)15(21)19(17-14)11-18-7-5-16(6-8-18)22-9-10-23-16/h1-4H,5-11H2,(H,17,20)