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

Systemtic Name: 3,5-dimethyl-4-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 3,5-dimethyl-4-[[4-[2-(3-pyridinyl)-4-quinazolinyl]-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]isoxazole Formula: C23H25N6O+ MolecularWeight: 401.4842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N6O/c1-16-20(17(2)30-27-16)15-28-10-12-29(13-11-28)23-19-7-3-4-8-21(19)25-22(26-23)18-6-5-9-24-14-18/h3-9,14H,10-13,15H2,1-2H3/p+1