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

Systemtic Name: 2-methyl-3-[4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonylphenyl]quinazolin-4-one Openeye Name: 2-methyl-3-[4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one CAS Name: 2-methyl-3-[4-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]-4-quinazolinone IUPAC Name: 2-methyl-3-[4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one Traditional Name: 2-methyl-3-[4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one Formula: C25H24N5O2+ MolecularWeight: 426.49036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=[NH+]C=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=[NH+]C=C5

InChI

InChI=1S/C25H23N5O2/c1-18-27-23-5-3-2-4-22(23)25(32)30(18)21-8-6-19(7-9-21)24(31)29-16-14-28(15-17-29)20-10-12-26-13-11-20/h2-13H,14-17H2,1H3/p+1