2-[(E)-2-(3-bromanyl-4-methoxy-phenyl)ethenyl]-3-methyl-4aH-quinazolin-3-ium-4-one

Systemtic Name: 2-[(E)-2-(3-bromanyl-4-methoxy-phenyl)ethenyl]-3-methyl-4aH-quinazolin-3-ium-4-one Openeye Name: 2-[(E)-2-(3-bromo-4-methoxy-phenyl)vinyl]-3-methyl-4aH-quinazolin-3-ium-4-one CAS Name: 2-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-3-methyl-4aH-quinazolin-3-ium-4-one IUPAC Name: 2-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-3-methyl-4aH-quinazolin-3-ium-4-one Traditional Name: 2-[(E)-2-(3-bromo-4-methoxy-phenyl)vinyl]-3-methyl-4aH-quinazolin-3-ium-4-one Formula: C18H16BrN2O2+ MolecularWeight: 372.23584

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N=C2C=CC=CC2C1=O)C=CC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

C[N+]1=C(N=C2C=CC=CC2C1=O)/C=C/C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C18H16BrN2O2/c1-21-17(20-15-6-4-3-5-13(15)18(21)22)10-8-12-7-9-16(23-2)14(19)11-12/h3-11,13H,1-2H3/q+1/b10-8+