(2S,3R)-1-(azepan-1-ium-1-yl)-2-[2,4-bis(chloranyl)phenoxy]-3-(4-ethoxyphenyl)-5-methyl-hexan-3-ol

Systemtic Name: (2S,3R)-1-(azepan-1-ium-1-yl)-2-[2,4-bis(chloranyl)phenoxy]-3-(4-ethoxyphenyl)-5-methyl-hexan-3-ol Openeye Name: (2S,3R)-1-(azepan-1-ium-1-yl)-2-(2,4-dichlorophenoxy)-3-(4-ethoxyphenyl)-5-methyl-hexan-3-ol CAS Name: (2S,3R)-1-(1-azepan-1-iumyl)-2-(2,4-dichlorophenoxy)-3-(4-ethoxyphenyl)-5-methyl-3-hexanol IUPAC Name: (2S,3R)-1-(azepan-1-ium-1-yl)-2-(2,4-dichlorophenoxy)-3-(4-ethoxyphenyl)-5-methylhexan-3-ol Traditional Name: (2S,3R)-1-(azepan-1-ium-1-yl)-2-(2,4-dichlorophenoxy)-5-methyl-3-p-phenetyl-hexan-3-ol Formula: C27H38Cl2NO3+ MolecularWeight: 495.50152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC(C)C)(C(C[NH+]2CCCCCC2)OC3=C(C=C(C=C3)Cl)Cl)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@](CC(C)C)([C@H](C[NH+]2CCCCCC2)OC3=C(C=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C27H37Cl2NO3/c1-4-32-23-12-9-21(10-13-23)27(31,18-20(2)3)26(19-30-15-7-5-6-8-16-30)33-25-14-11-22(28)17-24(25)29/h9-14,17,20,26,31H,4-8,15-16,18-19H2,1-3H3/p+1/t26-,27+/m0/s1