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

Systemtic Name: 2-methyl-3-[4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]quinazolin-4-one Openeye Name: 2-methyl-3-[4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]quinazolin-4-one CAS Name: 2-methyl-3-[4-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]-4-quinazolinone IUPAC Name: 2-methyl-3-[4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]quinazolin-4-one Traditional Name: 2-methyl-3-[4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]quinazolin-4-one Formula: C26H26N5O2+ MolecularWeight: 440.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=CC=NC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=CC=NC=C5

InChI

InChI=1S/C26H25N5O2/c1-19-28-24-5-3-2-4-23(24)26(33)31(19)22-8-6-21(7-9-22)25(32)30-16-14-29(15-17-30)18-20-10-12-27-13-11-20/h2-13H,14-18H2,1H3/p+1