3-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-2-methyl-quinazolin-4-one

Systemtic Name: 3-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-2-methyl-quinazolin-4-one Openeye Name: 3-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-2-methyl-quinazolin-4-one CAS Name: 3-[4-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-methyl-4-quinazolinone IUPAC Name: 3-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-2-methylquinazolin-4-one Traditional Name: 3-[4-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-carbonyl]phenyl]-2-methyl-quinazolin-4-one Formula: C29H31N4O4+ MolecularWeight: 499.58084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=C(C=CC(=C5)OC)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=C(C=CC(=C5)OC)OC

InChI

InChI=1S/C29H30N4O4/c1-20-30-26-7-5-4-6-25(26)29(35)33(20)23-10-8-21(9-11-23)28(34)32-16-14-31(15-17-32)19-22-18-24(36-2)12-13-27(22)37-3/h4-13,18H,14-17,19H2,1-3H3/p+1