1-[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[4-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]ethanone Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=CC=C(C=C2)C(=O)C)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=CC=C(C=C2)C(=O)C)O

InChI

InChI=1S/C17H26N2O3/c1-3-18-8-10-19(11-9-18)12-16(21)13-22-17-6-4-15(5-7-17)14(2)20/h4-7,16,21H,3,8-13H2,1-2H3/p+1/t16-/m0/s1