2-methoxy-4-[(E)-2-(1-pentylpyridin-1-ium-4-yl)ethenyl]phenol bromide

Systemtic Name: 2-methoxy-4-[(E)-2-(1-pentylpyridin-1-ium-4-yl)ethenyl]phenol bromide Openeye Name: 2-methoxy-4-[(E)-2-(1-pentylpyridin-1-ium-4-yl)vinyl]phenol bromide CAS Name: 2-methoxy-4-[(E)-2-(1-pentyl-4-pyridin-1-iumyl)ethenyl]phenol bromide IUPAC Name: 2-methoxy-4-[(E)-2-(1-pentylpyridin-1-ium-4-yl)ethenyl]phenol bromide Traditional Name: 4-[(E)-2-(1-amylpyridin-1-ium-4-yl)vinyl]-2-methoxy-phenol bromide Formula: C19H24BrNO2 MolecularWeight: 378.30336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1=CC=C(C=C1)C=CC2=CC(=C(C=C2)O)OC.[Br-]

Isomeric SMILES

CCCCC[N+]1=CC=C(C=C1)/C=C/C2=CC(=C(C=C2)O)OC.[Br-]

InChI

InChI=1S/C19H23NO2.BrH/c1-3-4-5-12-20-13-10-16(11-14-20)6-7-17-8-9-18(21)19(15-17)22-2;/h6-11,13-15H,3-5,12H2,1-2H3;1H