(2R)-1-morpholin-4-ium-4-yl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-morpholin-4-ium-4-yl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-morpholin-4-ium-4-yl-propan-2-ol CAS Name: (2R)-1-(4-morpholin-4-iumyl)-3-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2R)-1-morpholin-4-ium-4-yl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2R)-1-morpholin-4-ium-4-yl-3-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)propan-2-ol Formula: C20H35N3O4S+2 MolecularWeight: 413.5746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(C[NH+]3CCOCC3)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@H](C[NH+]3CCOCC3)O

InChI

InChI=1S/C20H33N3O4S/c1-17(2)18-3-5-20(6-4-18)28(25,26)23-9-7-21(8-10-23)15-19(24)16-22-11-13-27-14-12-22/h3-6,17,19,24H,7-16H2,1-2H3/p+2/t19-/m1/s1