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

Systemtic Name: 2-methyl-6-(2-methylprop-2-enoxy)-3-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]quinazolin-4-one Openeye Name: 2-methyl-6-(2-methylallyloxy)-3-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one CAS Name: 2-methyl-6-(2-methylprop-2-enoxy)-3-[4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]-4-quinazolinone IUPAC Name: 2-methyl-6-(2-methylprop-2-enoxy)-3-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one Traditional Name: 2-methyl-6-(2-methylallyloxy)-3-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one Formula: C29H30N5O3+ MolecularWeight: 496.5802

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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)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)OCC(=C)C)C(=O)N1C3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C29H29N5O3/c1-20(2)19-37-24-11-12-26-25(18-24)29(36)34(21(3)31-26)23-9-7-22(8-10-23)28(35)33-16-14-32(15-17-33)27-6-4-5-13-30-27/h4-13,18H,1,14-17,19H2,2-3H3/p+1