5-[(E)-2-[1-(2-azanylethyl)pyridin-1-ium-4-yl]ethenyl]-3-methoxy-benzene-1,2-diol

Systemtic Name: 5-[(E)-2-[1-(2-azanylethyl)pyridin-1-ium-4-yl]ethenyl]-3-methoxy-benzene-1,2-diol Openeye Name: 5-[(E)-2-[1-(2-aminoethyl)pyridin-1-ium-4-yl]vinyl]-3-methoxy-benzene-1,2-diol CAS Name: 5-[(E)-2-[1-(2-aminoethyl)-4-pyridin-1-iumyl]ethenyl]-3-methoxybenzene-1,2-diol IUPAC Name: 5-[(E)-2-[1-(2-aminoethyl)pyridin-1-ium-4-yl]ethenyl]-3-methoxybenzene-1,2-diol Traditional Name: 5-[(E)-2-[1-(2-aminoethyl)pyridin-1-ium-4-yl]vinyl]-3-methoxy-pyrocatechol Formula: C16H19N2O3+ MolecularWeight: 287.33366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)O)C=CC2=CC=[N+](C=C2)CCN

Isomeric SMILES

COC1=CC(=CC(=C1O)O)/C=C/C2=CC=[N+](C=C2)CCN

InChI

InChI=1S/C16H18N2O3/c1-21-15-11-13(10-14(19)16(15)20)3-2-12-4-7-18(8-5-12)9-6-17/h2-5,7-8,10-11,19H,6,9,17H2,1H3/p+1