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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OC

InChI

InChI=1S/C20H25N3O3/c1-25-17-8-6-16(15-18(17)26-2)7-9-20(24)23-13-11-22(12-14-23)19-5-3-4-10-21-19/h3-6,8,10,15H,7,9,11-14H2,1-2H3/p+1