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

Systemtic Name: 7-chloranyl-2-[[4-(phenylmethyl)pyridin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-benzylpyridin-1-ium-1-yl)methyl]-7-chloro-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[4-(phenylmethyl)-1-pyridin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-benzylpyridin-1-ium-1-yl)methyl]-7-chloro-1H-quinazolin-4-one Traditional Name: 2-[(4-benzylpyridin-1-ium-1-yl)methyl]-7-chloro-1H-quinazolin-4-one Formula: C21H17ClN3O+ MolecularWeight: 362.83218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=[N+](C=C2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=[N+](C=C2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN3O/c22-17-6-7-18-19(13-17)23-20(24-21(18)26)14-25-10-8-16(9-11-25)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2/p+1