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

Systemtic Name: (2R)-1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-morpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2R)-1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-morpholin-4-ium-4-yl-propan-2-ol CAS Name: (2R)-1-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-3-(4-morpholin-4-iumyl)-2-propanol IUPAC Name: (2R)-1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2R)-1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-morpholin-4-ium-4-yl-propan-2-ol Formula: C21H37N3O4S+2 MolecularWeight: 427.60118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O4S/c1-21(2,3)18-4-6-20(7-5-18)29(26,27)24-10-8-22(9-11-24)16-19(25)17-23-12-14-28-15-13-23/h4-7,19,25H,8-17H2,1-3H3/p+2/t19-/m1/s1