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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OCC(C[NH+]2CCCCCC2)O

Isomeric SMILES

CC(=O)C1=CC=CC=C1OC[C@H](C[NH+]2CCCCCC2)O

InChI

InChI=1S/C17H25NO3/c1-14(19)16-8-4-5-9-17(16)21-13-15(20)12-18-10-6-2-3-7-11-18/h4-5,8-9,15,20H,2-3,6-7,10-13H2,1H3/p+1/t15-/m0/s1