3-(4-fluorophenyl)-2-[(4-pentan-3-ylpiperazine-1,4-diium-1-yl)methyl]quinazolin-4-one

Systemtic Name: 3-(4-fluorophenyl)-2-[(4-pentan-3-ylpiperazine-1,4-diium-1-yl)methyl]quinazolin-4-one Openeye Name: 2-[[4-(1-ethylpropyl)piperazine-1,4-diium-1-yl]methyl]-3-(4-fluorophenyl)quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-2-[(4-pentan-3-yl-1-piperazine-1,4-diiumyl)methyl]-4-quinazolinone IUPAC Name: 3-(4-fluorophenyl)-2-[(4-pentan-3-ylpiperazine-1,4-diium-1-yl)methyl]quinazolin-4-one Traditional Name: 2-[[4-(1-ethylpropyl)piperazine-1,4-diium-1-yl]methyl]-3-(4-fluorophenyl)quinazolin-4-one Formula: C24H31FN4O+2 MolecularWeight: 410.527543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

Isomeric SMILES

CCC(CC)[NH+]1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

InChI

InChI=1S/C24H29FN4O/c1-3-19(4-2)28-15-13-27(14-16-28)17-23-26-22-8-6-5-7-21(22)24(30)29(23)20-11-9-18(25)10-12-20/h5-12,19H,3-4,13-17H2,1-2H3/p+2