6-bromanyl-3-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,3-benzoxazin-3-ium

Systemtic Name: 6-bromanyl-3-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,3-benzoxazin-3-ium Openeye Name: 6-bromo-3-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,3-benzoxazin-3-ium CAS Name: 6-bromo-3-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,3-benzoxazin-3-ium IUPAC Name: 6-bromo-3-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,3-benzoxazin-3-ium Traditional Name: 6-bromo-3-p-anisyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium Formula: C16H17BrNO2+ MolecularWeight: 335.21568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CC3=C(C=CC(=C3)Br)OC2

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CC3=C(C=CC(=C3)Br)OC2

InChI

InChI=1S/C16H16BrNO2/c1-19-15-5-2-12(3-6-15)9-18-10-13-8-14(17)4-7-16(13)20-11-18/h2-8H,9-11H2,1H3/p+1