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

Systemtic Name: 2-methyl-3-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]quinazolin-4-one Openeye Name: 2-methyl-3-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one CAS Name: 2-methyl-3-[4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]-4-quinazolinone IUPAC Name: 2-methyl-3-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one Traditional Name: 2-methyl-3-[4-(4-pyridin-1-ium-2-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=CC=[NH+]5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

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