5-methyl-3-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole

Systemtic Name: 5-methyl-3-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 5-methyl-3-[[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 5-methyl-3-[[4-[2-(3-pyridinyl)-4-quinazolinyl]-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 5-methyl-3-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 5-methyl-3-[[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]isoxazole Formula: C22H23N6O+ MolecularWeight: 387.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C22H22N6O/c1-16-13-18(26-29-16)15-27-9-11-28(12-10-27)22-19-6-2-3-7-20(19)24-21(25-22)17-5-4-8-23-14-17/h2-8,13-14H,9-12,15H2,1H3/p+1