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

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-propan-2-ylphenoxy)propan-1-one Openeye Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-isopropylphenoxy)propan-1-one CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-2-(4-propan-2-ylphenoxy)-1-propanone IUPAC Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-propan-2-ylphenoxy)propan-1-one Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-isopropylphenoxy)propan-1-one Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2/c1-5-19-10-12-20(13-11-19)18(21)15(4)22-17-8-6-16(7-9-17)14(2)3/h6-9,14-15H,5,10-13H2,1-4H3/p+1/t15-/m0/s1