(2R)-2-(2,4-dimethylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: (2R)-2-(2,4-dimethylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: (2R)-2-(2,4-dimethylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: (2R)-2-(2,4-dimethylphenoxy)-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2R)-2-(2,4-dimethylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2R)-2-(2,4-dimethylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)C(=O)N2CC[NH+](CC2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)O[C@H](C)C(=O)N2CC[NH+](CC2)C)C

InChI

InChI=1S/C16H24N2O2/c1-12-5-6-15(13(2)11-12)20-14(3)16(19)18-9-7-17(4)8-10-18/h5-6,11,14H,7-10H2,1-4H3/p+1/t14-/m1/s1