2-methoxy-4-[(E)-2-[1-[(3-nitrophenyl)methyl]pyridin-1-ium-4-yl]ethenyl]phenol bromide

Systemtic Name: 2-methoxy-4-[(E)-2-[1-[(3-nitrophenyl)methyl]pyridin-1-ium-4-yl]ethenyl]phenol bromide Openeye Name: 2-methoxy-4-[(E)-2-[1-[(3-nitrophenyl)methyl]pyridin-1-ium-4-yl]vinyl]phenol bromide CAS Name: 2-methoxy-4-[(E)-2-[1-[(3-nitrophenyl)methyl]-4-pyridin-1-iumyl]ethenyl]phenol bromide IUPAC Name: 2-methoxy-4-[(E)-2-[1-[(3-nitrophenyl)methyl]pyridin-1-ium-4-yl]ethenyl]phenol bromide Traditional Name: 2-methoxy-4-[(E)-2-[1-(3-nitrobenzyl)pyridin-1-ium-4-yl]vinyl]phenol bromide Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=CC=[N+](C=C2)CC3=CC(=CC=C3)[N+](=O)[O-])O.[Br-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=CC=[N+](C=C2)CC3=CC(=CC=C3)[N+](=O)[O-])O.[Br-]

InChI

InChI=1S/C21H18N2O4.BrH/c1-27-21-14-17(7-8-20(21)24)6-5-16-9-11-22(12-10-16)15-18-3-2-4-19(13-18)23(25)26;/h2-14H,15H2,1H3;1H