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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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