(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(3-methylphenoxy)propan-1-one

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(3-methylphenoxy)propan-1-one Openeye Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(3-methylphenoxy)propan-1-one CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-2-(3-methylphenoxy)-1-propanone IUPAC Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(3-methylphenoxy)propan-1-one Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(3-methylphenoxy)propan-1-one Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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