(E)-3-[1-[(3-bromophenyl)methyl]pyridin-1-ium-4-yl]-1-(3-hydroxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[1-[(3-bromophenyl)methyl]pyridin-1-ium-4-yl]-1-(3-hydroxyphenyl)prop-2-en-1-one Openeye Name: (E)-3-[1-[(3-bromophenyl)methyl]pyridin-1-ium-4-yl]-1-(3-hydroxyphenyl)prop-2-en-1-one CAS Name: (E)-3-[1-[(3-bromophenyl)methyl]-4-pyridin-1-iumyl]-1-(3-hydroxyphenyl)-2-propen-1-one IUPAC Name: (E)-3-[1-[(3-bromophenyl)methyl]pyridin-1-ium-4-yl]-1-(3-hydroxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-[1-(3-bromobenzyl)pyridin-1-ium-4-yl]-1-(3-hydroxyphenyl)prop-2-en-1-one Formula: C21H17BrNO2+ MolecularWeight: 395.26918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C[N+]2=CC=C(C=C2)C=CC(=O)C3=CC(=CC=C3)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)C[N+]2=CC=C(C=C2)/C=C/C(=O)C3=CC(=CC=C3)O

InChI

InChI=1S/C21H16BrNO2/c22-19-5-1-3-17(13-19)15-23-11-9-16(10-12-23)7-8-21(25)18-4-2-6-20(24)14-18/h1-14H,15H2/p+1/b8-7+