1-phenethyl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-phenethyl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-phenethyl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-phenethyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-phenethyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-phenethyl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium Formula: C22H31N2O2S+ MolecularWeight: 387.55874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3)C)C

InChI

InChI=1S/C22H30N2O2S/c1-17-16-18(2)20(4)22(19(17)3)27(25,26)24-14-12-23(13-15-24)11-10-21-8-6-5-7-9-21/h5-9,16H,10-15H2,1-4H3/p+1