(1S,2S)-3-(azepan-1-ium-1-yl)-2-[2,4-bis(chloranyl)phenoxy]-1-(4-ethoxyphenyl)-1-phenyl-propan-1-ol

Systemtic Name: (1S,2S)-3-(azepan-1-ium-1-yl)-2-[2,4-bis(chloranyl)phenoxy]-1-(4-ethoxyphenyl)-1-phenyl-propan-1-ol Openeye Name: (1S,2S)-3-(azepan-1-ium-1-yl)-2-(2,4-dichlorophenoxy)-1-(4-ethoxyphenyl)-1-phenyl-propan-1-ol CAS Name: (1S,2S)-3-(1-azepan-1-iumyl)-2-(2,4-dichlorophenoxy)-1-(4-ethoxyphenyl)-1-phenyl-1-propanol IUPAC Name: (1S,2S)-3-(azepan-1-ium-1-yl)-2-(2,4-dichlorophenoxy)-1-(4-ethoxyphenyl)-1-phenylpropan-1-ol Traditional Name: (1S,2S)-3-(azepan-1-ium-1-yl)-2-(2,4-dichlorophenoxy)-1-phenyl-1-p-phenetyl-propan-1-ol Formula: C29H34Cl2NO3+ MolecularWeight: 515.49116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C[NH+]3CCCCCC3)OC4=C(C=C(C=C4)Cl)Cl)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@](C2=CC=CC=C2)([C@H](C[NH+]3CCCCCC3)OC4=C(C=C(C=C4)Cl)Cl)O

InChI

InChI=1S/C29H33Cl2NO3/c1-2-34-25-15-12-23(13-16-25)29(33,22-10-6-5-7-11-22)28(21-32-18-8-3-4-9-19-32)35-27-17-14-24(30)20-26(27)31/h5-7,10-17,20,28,33H,2-4,8-9,18-19,21H2,1H3/p+1/t28-,29-/m0/s1