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

Systemtic Name: (2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-naphthalen-2-yloxy-propan-2-ol Openeye Name: (2R)-1-(2-naphthyloxy)-3-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-3-(2-naphthalenyloxy)-2-propanol IUPAC Name: (2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-naphthalen-2-yloxypropan-2-ol Traditional Name: (2R)-1-(2-naphthoxy)-3-(4-tosylpiperazin-1-ium-1-yl)propan-2-ol Formula: C24H29N2O4S+ MolecularWeight: 441.56306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(COC3=CC4=CC=CC=C4C=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@H](COC3=CC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C24H28N2O4S/c1-19-6-10-24(11-7-19)31(28,29)26-14-12-25(13-15-26)17-22(27)18-30-23-9-8-20-4-2-3-5-21(20)16-23/h2-11,16,22,27H,12-15,17-18H2,1H3/p+1/t22-/m1/s1