(2S)-1-(azepan-1-ium-1-yl)-3-(4-bromanylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-3-(4-bromanylphenoxy)propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-3-(4-bromophenoxy)propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-3-(4-bromophenoxy)-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-3-(4-bromophenoxy)propan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-3-(4-bromophenoxy)propan-2-ol Formula: C15H23BrNO2+ MolecularWeight: 329.25262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22BrNO2/c16-13-5-7-15(8-6-13)19-12-14(18)11-17-9-3-1-2-4-10-17/h5-8,14,18H,1-4,9-12H2/p+1/t14-/m0/s1