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

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-3-(4-methylphenoxy)-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2/c1-14-6-8-16(9-7-14)19-13-15(18)12-17-10-4-2-3-5-11-17/h6-9,15,18H,2-5,10-13H2,1H3/p+1/t15-/m0/s1