(2R)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol

Systemtic Name: (2R)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Openeye Name: (2R)-1-(4-morpholinosulfonylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol CAS Name: (2R)-1-[4-(4-morpholinylsulfonyl)phenoxy]-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-propanol IUPAC Name: (2R)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Traditional Name: (2R)-1-(4-morpholinosulfonylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Formula: C22H29N2O5S+ MolecularWeight: 433.54106

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(COC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)O

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)C[C@H](COC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)O

InChI

InChI=1S/C22H28N2O5S/c25-20(16-23-10-9-18-3-1-2-4-19(18)15-23)17-29-21-5-7-22(8-6-21)30(26,27)24-11-13-28-14-12-24/h1-8,20,25H,9-17H2/p+1/t20-/m1/s1