(2S)-2-(2,3-dimethylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: (2S)-2-(2,3-dimethylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: (2S)-2-(2,3-dimethylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: (2S)-2-(2,3-dimethylphenoxy)-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-2-(2,3-dimethylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2S)-2-(2,3-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=C(C(=CC=C1)OC(C)C(=O)N2CC[NH+](CC2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-12-6-5-7-15(13(12)2)20-14(3)16(19)18-10-8-17(4)9-11-18/h5-7,14H,8-11H2,1-4H3/p+1/t14-/m0/s1