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

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-3-(4-phenylphenoxy)propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-3-(4-phenylphenoxy)propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-3-(4-phenylphenoxy)-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-3-(4-phenylphenoxy)propan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-3-(4-phenylphenoxy)propan-2-ol Formula: C21H28NO2+ MolecularWeight: 326.45252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H27NO2/c23-20(16-22-14-6-1-2-7-15-22)17-24-21-12-10-19(11-13-21)18-8-4-3-5-9-18/h3-5,8-13,20,23H,1-2,6-7,14-17H2/p+1/t20-/m0/s1