(1S)-2-(azepan-1-ium-1-yl)-1-(3-ethoxyphenyl)ethanol

Systemtic Name: (1S)-2-(azepan-1-ium-1-yl)-1-(3-ethoxyphenyl)ethanol Openeye Name: (1S)-2-(azepan-1-ium-1-yl)-1-(3-ethoxyphenyl)ethanol CAS Name: (1S)-2-(1-azepan-1-iumyl)-1-(3-ethoxyphenyl)ethanol IUPAC Name: (1S)-2-(azepan-1-ium-1-yl)-1-(3-ethoxyphenyl)ethanol Traditional Name: (1S)-2-(azepan-1-ium-1-yl)-1-m-phenetyl-ethanol Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C[NH+]2CCCCCC2)O

Isomeric SMILES

CCOC1=CC=CC(=C1)[C@@H](C[NH+]2CCCCCC2)O

InChI

InChI=1S/C16H25NO2/c1-2-19-15-9-7-8-14(12-15)16(18)13-17-10-5-3-4-6-11-17/h7-9,12,16,18H,2-6,10-11,13H2,1H3/p+1/t16-/m1/s1