3-(4-methoxyphenyl)-2-methyl-1-[(4-nitrophenyl)methyl]quinazolin-1-ium-4-one perchlorate

Systemtic Name: 3-(4-methoxyphenyl)-2-methyl-1-[(4-nitrophenyl)methyl]quinazolin-1-ium-4-one perchlorate Openeye Name: 3-(4-methoxyphenyl)-2-methyl-1-[(4-nitrophenyl)methyl]quinazolin-1-ium-4-one perchlorate CAS Name: 3-(4-methoxyphenyl)-2-methyl-1-[(4-nitrophenyl)methyl]-4-quinazolin-1-iumone perchlorate IUPAC Name: 3-(4-methoxyphenyl)-2-methyl-1-[(4-nitrophenyl)methyl]quinazolin-1-ium-4-one perchlorate Traditional Name: 3-(4-methoxyphenyl)-2-methyl-1-(4-nitrobenzyl)quinazolin-1-ium-4-one perchlorate Formula: C23H20ClN3O8 MolecularWeight: 501.8732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC)CC4=CC=C(C=C4)[N+](=O)[O-].[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC)CC4=CC=C(C=C4)[N+](=O)[O-].[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C23H20N3O4.ClHO4/c1-16-24(15-17-7-9-19(10-8-17)26(28)29)22-6-4-3-5-21(22)23(27)25(16)18-11-13-20(30-2)14-12-18;2-1(3,4)5/h3-14H,15H2,1-2H3;(H,2,3,4,5)/q+1;/p-1