(2R)-2-(3-methylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: (2R)-2-(3-methylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: (2R)-2-(3-methylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: (2R)-2-(3-methylphenoxy)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: (2R)-2-(3-methylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: (2R)-2-(3-methylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2/c1-15-6-5-7-17(14-15)24-16(2)19(23)22-12-10-21(11-13-22)18-8-3-4-9-20-18/h3-9,14,16H,10-13H2,1-2H3/p+1/t16-/m1/s1