(1S)-1-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanol

Systemtic Name: (1S)-1-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Openeye Name: (1S)-1-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanol CAS Name: (1S)-1-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanol IUPAC Name: (1S)-1-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Traditional Name: (1S)-2-(4-mesitylsulfonylpiperazin-1-ium-1-yl)-1-phenyl-ethanol Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S/c1-16-13-17(2)21(18(3)14-16)27(25,26)23-11-9-22(10-12-23)15-20(24)19-7-5-4-6-8-19/h4-8,13-14,20,24H,9-12,15H2,1-3H3/p+1/t20-/m1/s1