[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxy-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyethyl]-dimethylammonium IUPAC Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyethyl]-dimethylazanium Traditional Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxy-ethyl]-dimethyl-ammonium Formula: C13H20NO3+ MolecularWeight: 238.3028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC2=C(C=C1)OCCCO2)O

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC2=C(C=C1)OCCCO2)O

InChI

InChI=1S/C13H19NO3/c1-14(2)9-11(15)10-4-5-12-13(8-10)17-7-3-6-16-12/h4-5,8,11,15H,3,6-7,9H2,1-2H3/p+1/t11-/m1/s1