2-methyl-3-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-6-(2-methylprop-2-enoxy)quinazolin-4-one

Systemtic Name: 2-methyl-3-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-6-(2-methylprop-2-enoxy)quinazolin-4-one Openeye Name: 2-methyl-6-(2-methylallyloxy)-3-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]quinazolin-4-one CAS Name: 2-methyl-3-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-6-(2-methylprop-2-enoxy)-4-quinazolinone IUPAC Name: 2-methyl-3-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-6-(2-methylprop-2-enoxy)quinazolin-4-one Traditional Name: 2-methyl-6-(2-methylallyloxy)-3-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]quinazolin-4-one Formula: C25H29N4O3+ MolecularWeight: 433.52276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)OCC(=C)C)C(=O)N1C3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)OCC(=C)C)C(=O)N1C3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C25H28N4O3/c1-17(2)16-32-21-9-10-23-22(15-21)25(31)29(18(3)26-23)20-7-5-19(6-8-20)24(30)28-13-11-27(4)12-14-28/h5-10,15H,1,11-14,16H2,2-4H3/p+1