1-[(4-fluorophenyl)methyl]-1-methyl-2-(prop-2-enylamino)quinazolin-1-ium-4-one

Systemtic Name: 1-[(4-fluorophenyl)methyl]-1-methyl-2-(prop-2-enylamino)quinazolin-1-ium-4-one Openeye Name: 2-(allylamino)-1-[(4-fluorophenyl)methyl]-1-methyl-quinazolin-1-ium-4-one CAS Name: 1-[(4-fluorophenyl)methyl]-1-methyl-2-(prop-2-enylamino)-4-quinazolin-1-iumone IUPAC Name: 1-[(4-fluorophenyl)methyl]-1-methyl-2-(prop-2-enylamino)quinazolin-1-ium-4-one Traditional Name: 2-(allylamino)-1-(4-fluorobenzyl)-1-methyl-quinazolin-1-ium-4-one Formula: C19H19FN3O+ MolecularWeight: 324.372063

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=CC=CC=C2C(=O)N=C1NCC=C)CC3=CC=C(C=C3)F

Isomeric SMILES

C[N+]1(C2=CC=CC=C2C(=O)N=C1NCC=C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C19H18FN3O/c1-3-12-21-19-22-18(24)16-6-4-5-7-17(16)23(19,2)13-14-8-10-15(20)11-9-14/h3-11H,1,12-13H2,2H3/p+1