(2S)-1-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol

Systemtic Name: (2S)-1-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol Openeye Name: (2S)-1-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-3-(2-thienylmethoxy)propan-2-ol CAS Name: (2S)-1-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)-2-propanol IUPAC Name: (2S)-1-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol Traditional Name: (2S)-1-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-3-(2-thenyloxy)propan-2-ol Formula: C14H26N2O2S+2 MolecularWeight: 286.43344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC(COCC2=CC=CS2)O

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)C[C@@H](COCC2=CC=CS2)O

InChI

InChI=1S/C14H24N2O2S/c1-15-5-3-6-16(8-7-15)10-13(17)11-18-12-14-4-2-9-19-14/h2,4,9,13,17H,3,5-8,10-12H2,1H3/p+2/t13-/m0/s1