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

Systemtic Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]-2-methyl-quinazolin-4-one Openeye Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-2-methyl-quinazolin-4-one CAS Name: 3-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-methyl-4-quinazolinone IUPAC Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-2-methylquinazolin-4-one Traditional Name: 2-methyl-3-[4-(4-piperonylpiperazin-4-ium-1-carbonyl)phenyl]quinazolin-4-one Formula: C28H27N4O4+ MolecularWeight: 483.53838

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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=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H26N4O4/c1-19-29-24-5-3-2-4-23(24)28(34)32(19)22-9-7-21(8-10-22)27(33)31-14-12-30(13-15-31)17-20-6-11-25-26(16-20)36-18-35-25/h2-11,16H,12-15,17-18H2,1H3/p+1