1-(4-pentylphenyl)sulfonyl-4-phenethyl-piperazin-4-ium

Systemtic Name: 1-(4-pentylphenyl)sulfonyl-4-phenethyl-piperazin-4-ium Openeye Name: 1-(4-pentylphenyl)sulfonyl-4-phenethyl-piperazin-4-ium CAS Name: 1-(4-pentylphenyl)sulfonyl-4-phenethylpiperazin-4-ium IUPAC Name: 1-(4-pentylphenyl)sulfonyl-4-phenethylpiperazin-4-ium Traditional Name: 1-(4-amylphenyl)sulfonyl-4-phenethyl-piperazin-4-ium Formula: C23H33N2O2S+ MolecularWeight: 401.58532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C23H32N2O2S/c1-2-3-5-8-22-11-13-23(14-12-22)28(26,27)25-19-17-24(18-20-25)16-15-21-9-6-4-7-10-21/h4,6-7,9-14H,2-3,5,8,15-20H2,1H3/p+1