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

Systemtic Name: (E)-3-[1-[(4-bromophenyl)methyl]pyridin-1-ium-4-yl]-1-(3-hydroxyphenyl)prop-2-en-1-one Openeye Name: (E)-3-[1-[(4-bromophenyl)methyl]pyridin-1-ium-4-yl]-1-(3-hydroxyphenyl)prop-2-en-1-one CAS Name: (E)-3-[1-[(4-bromophenyl)methyl]-4-pyridin-1-iumyl]-1-(3-hydroxyphenyl)-2-propen-1-one IUPAC Name: (E)-3-[1-[(4-bromophenyl)methyl]pyridin-1-ium-4-yl]-1-(3-hydroxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-[1-(4-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)O)C(=O)C=CC2=CC=[N+](C=C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)O)C(=O)/C=C/C2=CC=[N+](C=C2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H16BrNO2/c22-19-7-4-17(5-8-19)15-23-12-10-16(11-13-23)6-9-21(25)18-2-1-3-20(24)14-18/h1-14H,15H2/p+1/b9-6+