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

Systemtic Name: 1-[3-[(2S)-3-(4-ethanoylpiperazin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[3-[(2S)-3-(4-acetylpiperazin-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[3-[(2S)-3-(4-acetyl-1-piperazin-1-iumyl)-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[3-[(2S)-3-(4-acetylpiperazin-1-ium-1-yl)-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[3-[(2S)-3-(4-acetylpiperazin-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]ethanone Formula: C17H25N2O4+ MolecularWeight: 321.3914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC(C[NH+]2CCN(CC2)C(=O)C)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OC[C@H](C[NH+]2CCN(CC2)C(=O)C)O

InChI

InChI=1S/C17H24N2O4/c1-13(20)15-4-3-5-17(10-15)23-12-16(22)11-18-6-8-19(9-7-18)14(2)21/h3-5,10,16,22H,6-9,11-12H2,1-2H3/p+1/t16-/m0/s1