2-[(E)-2-[1-(6-azanylhexyl)pyridin-1-ium-4-yl]ethenyl]-5-methoxy-phenol

Systemtic Name: 2-[(E)-2-[1-(6-azanylhexyl)pyridin-1-ium-4-yl]ethenyl]-5-methoxy-phenol Openeye Name: 2-[(E)-2-[1-(6-aminohexyl)pyridin-1-ium-4-yl]vinyl]-5-methoxy-phenol CAS Name: 2-[(E)-2-[1-(6-aminohexyl)-4-pyridin-1-iumyl]ethenyl]-5-methoxyphenol IUPAC Name: 2-[(E)-2-[1-(6-aminohexyl)pyridin-1-ium-4-yl]ethenyl]-5-methoxyphenol Traditional Name: 2-[(E)-2-[1-(6-aminohexyl)pyridin-1-ium-4-yl]vinyl]-5-methoxy-phenol Formula: C20H27N2O2+ MolecularWeight: 327.44058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=CC2=CC=[N+](C=C2)CCCCCCN)O

Isomeric SMILES

COC1=CC(=C(C=C1)/C=C/C2=CC=[N+](C=C2)CCCCCCN)O

InChI

InChI=1S/C20H26N2O2/c1-24-19-9-8-18(20(23)16-19)7-6-17-10-14-22(15-11-17)13-5-3-2-4-12-21/h6-11,14-16H,2-5,12-13,21H2,1H3/p+1