2-(3,5-dimethylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3,5-dimethylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(3,5-dimethylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(3,5-dimethylphenoxy)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,5-dimethylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(3,5-dimethylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

InChI

InChI=1S/C19H23N3O2/c1-15-11-16(2)13-17(12-15)24-14-19(23)22-9-7-21(8-10-22)18-5-3-4-6-20-18/h3-6,11-13H,7-10,14H2,1-2H3/p+1