(2R)-1-(1-chloranylnaphthalen-2-yl)oxy-3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-(1-chloranylnaphthalen-2-yl)oxy-3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-[(1-chloro-2-naphthyl)oxy]-3-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-[(1-chloro-2-naphthalenyl)oxy]-3-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2R)-1-(1-chloronaphthalen-2-yl)oxy-3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2R)-1-(1-chloro-2-naphthoxy)-3-(4-tosylpiperazin-1-ium-1-yl)propan-2-ol Formula: C24H28ClN2O4S+ MolecularWeight: 476.00812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(COC3=C(C4=CC=CC=C4C=C3)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@H](COC3=C(C4=CC=CC=C4C=C3)Cl)O

InChI

InChI=1S/C24H27ClN2O4S/c1-18-6-9-21(10-7-18)32(29,30)27-14-12-26(13-15-27)16-20(28)17-31-23-11-8-19-4-2-3-5-22(19)24(23)25/h2-11,20,28H,12-17H2,1H3/p+1/t20-/m1/s1