2-(azepan-1-ium-1-ylmethyl)-3-(4-fluorophenyl)quinazolin-4-one

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-3-(4-fluorophenyl)quinazolin-4-one Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-3-(4-fluorophenyl)quinazolin-4-one CAS Name: 2-(1-azepan-1-iumylmethyl)-3-(4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-3-(4-fluorophenyl)quinazolin-4-one Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-3-(4-fluorophenyl)quinazolin-4-one Formula: C21H23FN3O+ MolecularWeight: 352.425223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O/c22-16-9-11-17(12-10-16)25-20(15-24-13-5-1-2-6-14-24)23-19-8-4-3-7-18(19)21(25)26/h3-4,7-12H,1-2,5-6,13-15H2/p+1