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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C[NH+]2CCCCCC2)O

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2/c1-2-19-16-10-6-5-9-14(16)15(18)13-17-11-7-3-4-8-12-17/h5-6,9-10,15,18H,2-4,7-8,11-13H2,1H3/p+1/t15-/m1/s1