1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-propyl-piperazin-4-ium

Systemtic Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-propyl-piperazin-4-ium Openeye Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-propyl-piperazin-4-ium CAS Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-propylpiperazin-4-ium IUPAC Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-propylpiperazin-4-ium Traditional Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-propyl-piperazin-4-ium Formula: C18H31N2O2S+ MolecularWeight: 339.51594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)S(=O)(=O)C2=C(C(=C(C(=C2C)C)C)C)C

Isomeric SMILES

CCC[NH+]1CCN(CC1)S(=O)(=O)C2=C(C(=C(C(=C2C)C)C)C)C

InChI

InChI=1S/C18H30N2O2S/c1-7-8-19-9-11-20(12-10-19)23(21,22)18-16(5)14(3)13(2)15(4)17(18)6/h7-12H2,1-6H3/p+1