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

Systemtic Name: 1-[2-[3-(azepan-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone hydrochloride Openeye Name: 1-[2-[3-(azepan-1-yl)-2-hydroxy-propoxy]phenyl]ethanone hydrochloride CAS Name: 1-[2-[3-(1-azepanyl)-2-hydroxypropoxy]phenyl]ethanone hydrochloride IUPAC Name: 1-[2-[3-(azepan-1-yl)-2-hydroxypropoxy]phenyl]ethanone hydrochloride Traditional Name: 1-[2-[3-(azepan-1-yl)-2-hydroxy-propoxy]phenyl]ethanone hydrochloride Formula: C17H26ClNO3 MolecularWeight: 327.84624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OCC(CN2CCCCCC2)O.Cl

Isomeric SMILES

CC(=O)C1=CC=CC=C1OCC(CN2CCCCCC2)O.Cl

InChI

InChI=1S/C17H25NO3.ClH/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;1H