(2S,3R)-1-(azepan-1-ium-1-yl)-3-(4-ethylphenyl)-2-phenoxy-hex-5-en-3-ol

Systemtic Name: (2S,3R)-1-(azepan-1-ium-1-yl)-3-(4-ethylphenyl)-2-phenoxy-hex-5-en-3-ol Openeye Name: (2S,3R)-1-(azepan-1-ium-1-yl)-3-(4-ethylphenyl)-2-phenoxy-hex-5-en-3-ol CAS Name: (2S,3R)-1-(1-azepan-1-iumyl)-3-(4-ethylphenyl)-2-phenoxy-5-hexen-3-ol IUPAC Name: (2S,3R)-1-(azepan-1-ium-1-yl)-3-(4-ethylphenyl)-2-phenoxyhex-5-en-3-ol Traditional Name: (2S,3R)-1-(azepan-1-ium-1-yl)-3-(4-ethylphenyl)-2-phenoxy-hex-5-en-3-ol Formula: C26H36NO2+ MolecularWeight: 394.56954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CC=C)(C(C[NH+]2CCCCCC2)OC3=CC=CC=C3)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@](CC=C)([C@H](C[NH+]2CCCCCC2)OC3=CC=CC=C3)O

InChI

InChI=1S/C26H35NO2/c1-3-18-26(28,23-16-14-22(4-2)15-17-23)25(29-24-12-8-7-9-13-24)21-27-19-10-5-6-11-20-27/h3,7-9,12-17,25,28H,1,4-6,10-11,18-21H2,2H3/p+1/t25-,26+/m0/s1