(2R)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-4-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propan-2-ol

Systemtic Name: (2R)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-4-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propan-2-ol Openeye Name: (2R)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-4-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propan-2-ol CAS Name: (2R)-1-(1-azocan-1-iumyl)-3-[2-methoxy-4-(1-pyrrolidin-1-iumylmethyl)phenoxy]-2-propanol IUPAC Name: (2R)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-4-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propan-2-ol Traditional Name: (2R)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-4-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propan-2-ol Formula: C22H38N2O3+2 MolecularWeight: 378.54872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCCC2)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCCC2)OC[C@@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C22H36N2O3/c1-26-22-15-19(16-23-13-7-8-14-23)9-10-21(22)27-18-20(25)17-24-11-5-3-2-4-6-12-24/h9-10,15,20,25H,2-8,11-14,16-18H2,1H3/p+2/t20-/m1/s1