2-(isoquinolin-2-ium-2-ylmethyl)-1H-quinazolin-4-one

Systemtic Name: 2-(isoquinolin-2-ium-2-ylmethyl)-1H-quinazolin-4-one Openeye Name: 2-(isoquinolin-2-ium-2-ylmethyl)-1H-quinazolin-4-one CAS Name: 2-(2-isoquinolin-2-iumylmethyl)-1H-quinazolin-4-one IUPAC Name: 2-(isoquinolin-2-ium-2-ylmethyl)-1H-quinazolin-4-one Traditional Name: 2-(isoquinolin-2-ium-2-ylmethyl)-1H-quinazolin-4-one Formula: C18H14N3O+ MolecularWeight: 288.32326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C18H13N3O/c22-18-15-7-3-4-8-16(15)19-17(20-18)12-21-10-9-13-5-1-2-6-14(13)11-21/h1-11H,12H2/p+1