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

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-3-[2,4-bis(bromanyl)phenoxy]propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-3-(2,4-dibromophenoxy)propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-3-(2,4-dibromophenoxy)-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-3-(2,4-dibromophenoxy)propan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-3-(2,4-dibromophenoxy)propan-2-ol Formula: C15H22Br2NO2+ MolecularWeight: 408.14868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(COC2=C(C=C(C=C2)Br)Br)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](COC2=C(C=C(C=C2)Br)Br)O

InChI

InChI=1S/C15H21Br2NO2/c16-12-5-6-15(14(17)9-12)20-11-13(19)10-18-7-3-1-2-4-8-18/h5-6,9,13,19H,1-4,7-8,10-11H2/p+1/t13-/m0/s1