3-(3,5-dimethoxyphenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(3,5-dimethoxyphenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(3,5-dimethoxyphenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(3,5-dimethoxyphenyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,5-dimethoxyphenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(3,5-dimethoxyphenyl)-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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