6-[[2-ethyl-3,4-bis(oxidanyl)phenyl]amino]hexyl-dimethyl-phenethyl-azanium

Systemtic Name: 6-[[2-ethyl-3,4-bis(oxidanyl)phenyl]amino]hexyl-dimethyl-phenethyl-azanium Openeye Name: 6-(2-ethyl-3,4-dihydroxy-anilino)hexyl-dimethyl-phenethyl-ammonium CAS Name: 6-(2-ethyl-3,4-dihydroxyanilino)hexyl-dimethyl-phenethylammonium IUPAC Name: 6-(2-ethyl-3,4-dihydroxyanilino)hexyl-dimethyl-phenethylazanium Traditional Name: 6-(2-ethyl-3,4-dihydroxy-anilino)hexyl-dimethyl-phenethyl-ammonium Formula: C24H37N2O2+ MolecularWeight: 385.56278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1O)O)NCCCCCC[N+](C)(C)CCC2=CC=CC=C2

Isomeric SMILES

CCC1=C(C=CC(=C1O)O)NCCCCCC[N+](C)(C)CCC2=CC=CC=C2

InChI

InChI=1S/C24H36N2O2/c1-4-21-22(14-15-23(27)24(21)28)25-17-10-5-6-11-18-26(2,3)19-16-20-12-8-7-9-13-20/h7-9,12-15,25H,4-6,10-11,16-19H2,1-3H3,(H-,27,28)/p+1