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

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-3-(3-methoxyphenoxy)propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-3-(3-methoxyphenoxy)propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-3-(3-methoxyphenoxy)-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-3-(3-methoxyphenoxy)propan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-3-(3-methoxyphenoxy)propan-2-ol Formula: C16H26NO3+ MolecularWeight: 280.38254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC(C[NH+]2CCCCCC2)O

Isomeric SMILES

COC1=CC(=CC=C1)OC[C@H](C[NH+]2CCCCCC2)O

InChI

InChI=1S/C16H25NO3/c1-19-15-7-6-8-16(11-15)20-13-14(18)12-17-9-4-2-3-5-10-17/h6-8,11,14,18H,2-5,9-10,12-13H2,1H3/p+1/t14-/m0/s1