[(2E,7E)-3,7-dimethyl-8-phenyl-octa-2,7-dienyl]-dimethyl-(4-sulfobutyl)azanium

Systemtic Name: [(2E,7E)-3,7-dimethyl-8-phenyl-octa-2,7-dienyl]-dimethyl-(4-sulfobutyl)azanium Openeye Name: [(2E,7E)-3,7-dimethyl-8-phenyl-octa-2,7-dienyl]-dimethyl-(4-sulfobutyl)ammonium CAS Name: [(2E,7E)-3,7-dimethyl-8-phenylocta-2,7-dienyl]-dimethyl-(4-sulfobutyl)ammonium IUPAC Name: [(2E,7E)-3,7-dimethyl-8-phenylocta-2,7-dienyl]-dimethyl-(4-sulfobutyl)azanium Traditional Name: [(2E,7E)-3,7-dimethyl-8-phenyl-octa-2,7-dienyl]-dimethyl-(4-sulfobutyl)ammonium Formula: C22H36NO3S+ MolecularWeight: 394.59114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[N+](C)(C)CCCCS(=O)(=O)O)CCCC(=CC1=CC=CC=C1)C

Isomeric SMILES

C/C(=C\C[N+](C)(C)CCCCS(=O)(=O)O)/CCC/C(=C/C1=CC=CC=C1)/C

InChI

InChI=1S/C22H35NO3S/c1-20(11-10-12-21(2)19-22-13-6-5-7-14-22)15-17-23(3,4)16-8-9-18-27(24,25)26/h5-7,13-15,19H,8-12,16-18H2,1-4H3/p+1/b20-15+,21-19+