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

Systemtic Name: 2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-3-(4-fluorophenyl)quinazolin-4-one Openeye Name: 2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-3-(4-fluorophenyl)quinazolin-4-one CAS Name: 2-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-3-(4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-3-(4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-3-(4-fluorophenyl)quinazolin-4-one Formula: C21H25FN4O+2 MolecularWeight: 368.447803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4O/c1-2-24-11-13-25(14-12-24)15-20-23-19-6-4-3-5-18(19)21(27)26(20)17-9-7-16(22)8-10-17/h3-10H,2,11-15H2,1H3/p+2