4-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-pyridin-3-yl-quinazoline

Systemtic Name: 4-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline CAS Name: 4-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-pyridin-3-ylquinazoline Traditional Name: 4-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline Formula: C25H25FN5O+ MolecularWeight: 430.497303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C25H24FN5O/c1-32-23-9-8-20(26)15-19(23)17-30-11-13-31(14-12-30)25-21-6-2-3-7-22(21)28-24(29-25)18-5-4-10-27-16-18/h2-10,15-16H,11-14,17H2,1H3/p+1