2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-3-(4-fluorophenyl)quinazolin-4-one

Systemtic Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-3-(4-fluorophenyl)quinazolin-4-one Openeye Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-3-(4-fluorophenyl)quinazolin-4-one CAS Name: 2-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-3-(4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-3-(4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-3-(4-fluorophenyl)quinazolin-4-one Formula: C27H28FN4O+ MolecularWeight: 443.535823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F)C

InChI

InChI=1S/C27H27FN4O/c1-19-6-5-9-25(20(19)2)31-16-14-30(15-17-31)18-26-29-24-8-4-3-7-23(24)27(33)32(26)22-12-10-21(28)11-13-22/h3-13H,14-18H2,1-2H3/p+1