(2S)-1-(azepan-1-ium-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-3-(2,5-dimethylphenoxy)-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(C[NH+]2CCCCCC2)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC[C@H](C[NH+]2CCCCCC2)O

InChI

InChI=1S/C17H27NO2/c1-14-7-8-15(2)17(11-14)20-13-16(19)12-18-9-5-3-4-6-10-18/h7-8,11,16,19H,3-6,9-10,12-13H2,1-2H3/p+1/t16-/m0/s1