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

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-3-(2,3,5-trimethylphenoxy)propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-3-(2,3,5-trimethylphenoxy)propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-3-(2,3,5-trimethylphenoxy)-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-3-(2,3,5-trimethylphenoxy)propan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-3-(2,3,5-trimethylphenoxy)propan-2-ol Formula: C18H30NO2+ MolecularWeight: 292.4363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO2/c1-14-10-15(2)16(3)18(11-14)21-13-17(20)12-19-8-6-4-5-7-9-19/h10-11,17,20H,4-9,12-13H2,1-3H3/p+1/t17-/m0/s1