(2S)-1-(azepan-1-ium-1-yl)-2-(2-methoxyphenyl)propan-2-ol

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCCC1)(C2=CC=CC=C2OC)O

Isomeric SMILES

C[C@@](C[NH+]1CCCCCC1)(C2=CC=CC=C2OC)O

InChI

InChI=1S/C16H25NO2/c1-16(18,13-17-11-7-3-4-8-12-17)14-9-5-6-10-15(14)19-2/h5-6,9-10,18H,3-4,7-8,11-13H2,1-2H3/p+1/t16-/m1/s1