(2R)-1-(azepan-1-ium-1-yl)-3-[2-methoxy-4-(1,2-oxazinan-2-ylmethyl)phenoxy]propan-2-ol

Systemtic Name: (2R)-1-(azepan-1-ium-1-yl)-3-[2-methoxy-4-(1,2-oxazinan-2-ylmethyl)phenoxy]propan-2-ol Openeye Name: (2R)-1-(azepan-1-ium-1-yl)-3-[2-methoxy-4-(oxazinan-2-ylmethyl)phenoxy]propan-2-ol CAS Name: (2R)-1-(1-azepan-1-iumyl)-3-[2-methoxy-4-(2-oxazinanylmethyl)phenoxy]-2-propanol IUPAC Name: (2R)-1-(azepan-1-ium-1-yl)-3-[2-methoxy-4-(oxazinan-2-ylmethyl)phenoxy]propan-2-ol Traditional Name: (2R)-1-(azepan-1-ium-1-yl)-3-[2-methoxy-4-(oxazinan-2-ylmethyl)phenoxy]propan-2-ol Formula: C21H35N2O4+ MolecularWeight: 379.5136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCCCO2)OCC(C[NH+]3CCCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCCCO2)OC[C@@H](C[NH+]3CCCCCC3)O

InChI

InChI=1S/C21H34N2O4/c1-25-21-14-18(15-23-12-6-7-13-27-23)8-9-20(21)26-17-19(24)16-22-10-4-2-3-5-11-22/h8-9,14,19,24H,2-7,10-13,15-17H2,1H3/p+1/t19-/m1/s1