(2S)-1-[4-[2,5-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-3-[(1R)-1-(4-chlorophenyl)ethoxy]propan-2-ol

Systemtic Name: (2S)-1-[4-[2,5-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-3-[(1R)-1-(4-chlorophenyl)ethoxy]propan-2-ol Openeye Name: (2S)-1-[(1R)-1-(4-chlorophenyl)ethoxy]-3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-[(1R)-1-(4-chlorophenyl)ethoxy]-3-[4-(2,5-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-[(1R)-1-(4-chlorophenyl)ethoxy]-3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-[(1R)-1-(4-chlorophenyl)ethoxy]-3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol Formula: C21H26Cl3N2O4S+ MolecularWeight: 508.86614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Cl)OCC(C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)O

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)Cl)OC[C@H](C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)O

InChI

InChI=1S/C21H25Cl3N2O4S/c1-15(16-2-4-17(22)5-3-16)30-14-19(27)13-25-8-10-26(11-9-25)31(28,29)21-12-18(23)6-7-20(21)24/h2-7,12,15,19,27H,8-11,13-14H2,1H3/p+1/t15-,19+/m1/s1