1-octyl-4-propyl-1-(3,4,5-trimethoxyphenyl)piperazin-1-ium; 2,4,6-triethylbenzenesulfonamide

Systemtic Name: 1-octyl-4-propyl-1-(3,4,5-trimethoxyphenyl)piperazin-1-ium; 2,4,6-triethylbenzenesulfonamide Openeye Name: 1-octyl-4-propyl-1-(3,4,5-trimethoxyphenyl)piperazin-1-ium; 2,4,6-triethylbenzenesulfonamide CAS Name: 1-octyl-4-propyl-1-(3,4,5-trimethoxyphenyl)piperazin-1-ium; 2,4,6-triethylbenzenesulfonamide IUPAC Name: 1-octyl-4-propyl-1-(3,4,5-trimethoxyphenyl)piperazin-1-ium; 2,4,6-triethylbenzenesulfonamide Traditional Name: 1-octyl-4-propyl-1-(3,4,5-trimethoxyphenyl)piperazin-1-ium; 2,4,6-triethylbenzenesulfonamide Formula: C36H62N3O5S+ MolecularWeight: 648.95958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(CCN(CC1)CCC)C2=CC(=C(C(=C2)OC)OC)OC.CCC1=CC(=C(C(=C1)CC)S(=O)(=O)N)CC

Isomeric SMILES

CCCCCCCC[N+]1(CCN(CC1)CCC)C2=CC(=C(C(=C2)OC)OC)OC.CCC1=CC(=C(C(=C1)CC)S(=O)(=O)N)CC

InChI

InChI=1S/C24H43N2O3.C12H19NO2S/c1-6-8-9-10-11-12-16-26(17-14-25(13-7-2)15-18-26)21-19-22(27-3)24(29-5)23(20-21)28-4;1-4-9-7-10(5-2)12(16(13,14)15)11(6-3)8-9/h19-20H,6-18H2,1-5H3;7-8H,4-6H2,1-3H3,(H2,13,14,15)/q+1;