7-chloranyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]quinazolin-4-olate Formula: C20H18ClN3O MolecularWeight: 351.82942

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC=C1C2=CC=CC=C2)CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-]

Isomeric SMILES

C1C[NH+](CC=C1C2=CC=CC=C2)CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-]

InChI

InChI=1S/C20H18ClN3O/c21-16-6-7-17-18(12-16)22-19(23-20(17)25)13-24-10-8-15(9-11-24)14-4-2-1-3-5-14/h1-8,12H,9-11,13H2,(H,22,23,25)