4-dodecylsulfonyl-1-ethyl-1-(phenylmethyl)piperazin-1-ium

Systemtic Name: 4-dodecylsulfonyl-1-ethyl-1-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-dodecylsulfonyl-1-ethyl-piperazin-1-ium CAS Name: 4-dodecylsulfonyl-1-ethyl-1-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-dodecylsulfonyl-1-ethylpiperazin-1-ium Traditional Name: 1-benzyl-1-ethyl-4-laurylsulfonyl-piperazin-1-ium Formula: C25H45N2O2S+ MolecularWeight: 437.702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)N1CC[N+](CC1)(CC)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)N1CC[N+](CC1)(CC)CC2=CC=CC=C2

InChI

InChI=1S/C25H45N2O2S/c1-3-5-6-7-8-9-10-11-12-16-23-30(28,29)26-19-21-27(4-2,22-20-26)24-25-17-14-13-15-18-25/h13-15,17-18H,3-12,16,19-24H2,1-2H3/q+1