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

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-3-(2-chloranylphenoxy)propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-3-(2-chlorophenoxy)propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-3-(2-chlorophenoxy)-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-3-(2-chlorophenoxy)propan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-3-(2-chlorophenoxy)propan-2-ol Formula: C15H23ClNO2+ MolecularWeight: 284.80162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(COC2=CC=CC=C2Cl)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](COC2=CC=CC=C2Cl)O

InChI

InChI=1S/C15H22ClNO2/c16-14-7-3-4-8-15(14)19-12-13(18)11-17-9-5-1-2-6-10-17/h3-4,7-8,13,18H,1-2,5-6,9-12H2/p+1/t13-/m0/s1