(E)-3-(2,3-dimethoxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(2,3-dimethoxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(2,3-dimethoxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(2,3-dimethoxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazino)prop-2-en-1-one Formula: C20H24N3O3+ MolecularWeight: 354.42286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C/C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C20H23N3O3/c1-25-18-5-3-4-16(20(18)26-2)6-7-19(24)23-14-12-22(13-15-23)17-8-10-21-11-9-17/h3-11H,12-15H2,1-2H3/p+1/b7-6+