(2S)-2-(3,5-dimethylphenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: (2S)-2-(3,5-dimethylphenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: (2S)-2-(3,5-dimethylphenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: (2S)-2-(3,5-dimethylphenoxy)-1-(4-ethyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-2-(3,5-dimethylphenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2S)-2-(3,5-dimethylphenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)OC2=CC(=CC(=C2)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)OC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C17H26N2O2/c1-5-18-6-8-19(9-7-18)17(20)15(4)21-16-11-13(2)10-14(3)12-16/h10-12,15H,5-9H2,1-4H3/p+1/t15-/m0/s1