2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1H-quinazolin-4-one CAS Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Traditional Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Formula: C20H20N3O+ MolecularWeight: 318.3923

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC=C1C2=CC=CC=C2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1C[NH+](CC=C1C2=CC=CC=C2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H19N3O/c24-20-17-8-4-5-9-18(17)21-19(22-20)14-23-12-10-16(11-13-23)15-6-2-1-3-7-15/h1-10H,11-14H2,(H,21,22,24)/p+1