3-(2,3-dimethoxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(2,3-dimethoxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(2,3-dimethoxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(2,3-dimethoxyphenyl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(2,3-dimethoxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(2,3-dimethoxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazino)propan-1-one Formula: C20H26N3O3+ MolecularWeight: 356.43874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/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/h3-5,8-11H,6-7,12-15H2,1-2H3/p+1