(2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-phenoxy-propan-2-ol

Systemtic Name: (2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-phenoxy-propan-2-ol Openeye Name: (2S)-1-phenoxy-3-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-3-phenoxy-2-propanol IUPAC Name: (2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-phenoxypropan-2-ol Traditional Name: (2S)-1-phenoxy-3-(4-tosylpiperazin-1-ium-1-yl)propan-2-ol Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/c1-17-7-9-20(10-8-17)27(24,25)22-13-11-21(12-14-22)15-18(23)16-26-19-5-3-2-4-6-19/h2-10,18,23H,11-16H2,1H3/p+1/t18-/m0/s1