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

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-3-(2-thienylmethoxy)propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-3-(thiophen-2-ylmethoxy)-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-3-(2-thenyloxy)propan-2-ol Formula: C14H24NO2S+ MolecularWeight: 270.41086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(COCC2=CC=CS2)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](COCC2=CC=CS2)O

InChI

InChI=1S/C14H23NO2S/c16-13(10-15-7-3-1-2-4-8-15)11-17-12-14-6-5-9-18-14/h5-6,9,13,16H,1-4,7-8,10-12H2/p+1/t13-/m0/s1