2-(2-chloranyl-5-methyl-phenoxy)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-(2-chloranyl-5-methyl-phenoxy)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 2-(2-chloro-5-methyl-phenoxy)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 2-(2-chloro-5-methylphenoxy)-2-methyl-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(2-chloro-5-methylphenoxy)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 2-(2-chloro-5-methyl-phenoxy)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C20H25ClN3O2+ MolecularWeight: 374.8844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O2/c1-15-7-8-16(21)17(14-15)26-20(2,3)19(25)24-12-10-23(11-13-24)18-6-4-5-9-22-18/h4-9,14H,10-13H2,1-3H3/p+1