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

Systemtic Name: (2R)-1-[4-(azocan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2R)-1-[4-(azocan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol CAS Name: (2R)-1-[4-(1-azocan-1-iumylmethyl)-2-methoxyphenoxy]-3-(4-thiomorpholin-4-iumyl)-2-propanol IUPAC Name: (2R)-1-[4-(azocan-1-ium-1-ylmethyl)-2-methoxyphenoxy]-3-thiomorpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2R)-1-[4-(azocan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol Formula: C22H38N2O3S+2 MolecularWeight: 410.61372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCCCCCC2)OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCCCCCC2)OC[C@@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C22H36N2O3S/c1-26-22-15-19(16-23-9-5-3-2-4-6-10-23)7-8-21(22)27-18-20(25)17-24-11-13-28-14-12-24/h7-8,15,20,25H,2-6,9-14,16-18H2,1H3/p+2/t20-/m1/s1