(2S)-4-methyl-2-phenyl-1-(4-propylphenyl)sulfonyl-piperazin-4-ium

Systemtic Name: (2S)-4-methyl-2-phenyl-1-(4-propylphenyl)sulfonyl-piperazin-4-ium Openeye Name: (2S)-4-methyl-2-phenyl-1-(4-propylphenyl)sulfonyl-piperazin-4-ium CAS Name: (2S)-4-methyl-2-phenyl-1-(4-propylphenyl)sulfonylpiperazin-4-ium IUPAC Name: (2S)-4-methyl-2-phenyl-1-(4-propylphenyl)sulfonylpiperazin-4-ium Traditional Name: (2S)-4-methyl-2-phenyl-1-(4-propylphenyl)sulfonyl-piperazin-4-ium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2C3=CC=CC=C3)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](C[C@@H]2C3=CC=CC=C3)C

InChI

InChI=1S/C20H26N2O2S/c1-3-7-17-10-12-19(13-11-17)25(23,24)22-15-14-21(2)16-20(22)18-8-5-4-6-9-18/h4-6,8-13,20H,3,7,14-16H2,1-2H3/p+1/t20-/m1/s1