5-(pyridin-1-ium-2-ylmethylamino)quinazolino[2,3-a]phthalazin-8-one

Systemtic Name: 5-(pyridin-1-ium-2-ylmethylamino)quinazolino[2,3-a]phthalazin-8-one Openeye Name: 5-(pyridin-1-ium-2-ylmethylamino)quinazolino[2,3-a]phthalazin-8-one CAS Name: 5-(2-pyridin-1-iumylmethylamino)-8-quinazolino[2,3-a]phthalazinone IUPAC Name: 5-(pyridin-1-ium-2-ylmethylamino)quinazolino[2,3-a]phthalazin-8-one Traditional Name: 5-(pyridin-1-ium-2-ylmethylamino)quinazolino[2,3-a]phthalazin-8-one Formula: C21H16N5O+ MolecularWeight: 354.38464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN3C2=NC4=CC=CC=C4C3=O)NCC5=CC=CC=[NH+]5

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN3C2=NC4=CC=CC=C4C3=O)NCC5=CC=CC=[NH+]5

InChI

InChI=1S/C21H15N5O/c27-21-17-10-3-4-11-18(17)24-20-16-9-2-1-8-15(16)19(25-26(20)21)23-13-14-7-5-6-12-22-14/h1-12H,13H2,(H,23,25)/p+1