3-(4-chlorophenyl)-2-(phenylmethyl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-(4-chlorophenyl)-2-(phenylmethyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 2-benzyl-3-(4-chlorophenyl)-4aH-quinazolin-3-ium-4-one CAS Name: 3-(4-chlorophenyl)-2-(phenylmethyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 2-benzyl-3-(4-chlorophenyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 2-benzyl-3-(4-chlorophenyl)-4aH-quinazolin-3-ium-4-one Formula: C21H16ClN2O+ MolecularWeight: 347.81754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=[N+](C(=O)C3C=CC=CC3=N2)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=[N+](C(=O)C3C=CC=CC3=N2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN2O/c22-16-10-12-17(13-11-16)24-20(14-15-6-2-1-3-7-15)23-19-9-5-4-8-18(19)21(24)25/h1-13,18H,14H2/q+1