1-[2-[(2R)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[2-[(2R)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[2-[(2R)-2-hydroxy-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propoxy]phenyl]ethanone CAS Name: 1-[2-[(2R)-2-hydroxy-3-[(2S)-2-methyl-1-piperidin-1-iumyl]propoxy]phenyl]ethanone IUPAC Name: 1-[2-[(2R)-2-hydroxy-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propoxy]phenyl]ethanone Traditional Name: 1-[2-[(2R)-2-hydroxy-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propoxy]phenyl]ethanone Formula: C17H26NO3+ MolecularWeight: 292.39324

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(COC2=CC=CC=C2C(=O)C)O

Isomeric SMILES

C[C@H]1CCCC[NH+]1C[C@H](COC2=CC=CC=C2C(=O)C)O

InChI

InChI=1S/C17H25NO3/c1-13-7-5-6-10-18(13)11-15(20)12-21-17-9-4-3-8-16(17)14(2)19/h3-4,8-9,13,15,20H,5-7,10-12H2,1-2H3/p+1/t13-,15+/m0/s1