[2,6-dimethoxy-4-[(E)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)iminomethyl]phenyl] ethanoate

Systemtic Name: [2,6-dimethoxy-4-[(E)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)iminomethyl]phenyl] ethanoate Openeye Name: [2,6-dimethoxy-4-[(E)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)iminomethyl]phenyl] acetate CAS Name: acetic acid [2,6-dimethoxy-4-[(E)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]iminomethyl]phenyl] ester IUPAC Name: [2,6-dimethoxy-4-[(E)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)iminomethyl]phenyl] acetate Traditional Name: acetic acid [2,6-dimethoxy-4-[(E)-(4-pyridin-1-ium-2-ylpiperazino)iminomethyl]phenyl] ester Formula: C20H25N4O4+ MolecularWeight: 385.4369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1OC)C=NN2CCN(CC2)C3=CC=CC=[NH+]3)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1OC)/C=N/N2CCN(CC2)C3=CC=CC=[NH+]3)OC

InChI

InChI=1S/C20H24N4O4/c1-15(25)28-20-17(26-2)12-16(13-18(20)27-3)14-22-24-10-8-23(9-11-24)19-6-4-5-7-21-19/h4-7,12-14H,8-11H2,1-3H3/p+1/b22-14+