2-[[4-(phenylmethyl)pyridin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(phenylmethyl)pyridin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-benzylpyridin-1-ium-1-yl)methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(phenylmethyl)-1-pyridin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-benzylpyridin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Traditional Name: 2-[(4-benzylpyridin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Formula: C21H18N3O+ MolecularWeight: 328.38712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=[N+](C=C2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=[N+](C=C2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H17N3O/c25-21-18-8-4-5-9-19(18)22-20(23-21)15-24-12-10-17(11-13-24)14-16-6-2-1-3-7-16/h1-13H,14-15H2/p+1