4-[[(2E,6E)-3,7-dimethyl-9-phenyl-nona-2,6-dienyl]-dimethyl-azaniumyl]butane-1-sulfonate

Systemtic Name: 4-[[(2E,6E)-3,7-dimethyl-9-phenyl-nona-2,6-dienyl]-dimethyl-azaniumyl]butane-1-sulfonate Openeye Name: 4-[[(2E,6E)-3,7-dimethyl-9-phenyl-nona-2,6-dienyl]-dimethyl-ammonio]butane-1-sulfonate CAS Name: 4-[[(2E,6E)-3,7-dimethyl-9-phenylnona-2,6-dienyl]-dimethylammonio]-1-butanesulfonate IUPAC Name: 4-[[(2E,6E)-3,7-dimethyl-9-phenylnona-2,6-dienyl]-dimethylazaniumyl]butane-1-sulfonate Traditional Name: 4-[[(2E,6E)-3,7-dimethyl-9-phenyl-nona-2,6-dienyl]-dimethyl-ammonio]butane-1-sulfonate Formula: C23H37NO3S MolecularWeight: 407.60978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CC[N+](C)(C)CCCCS(=O)(=O)[O-])C)CCC1=CC=CC=C1

Isomeric SMILES

C/C(=C\CC/C(=C/C[N+](C)(C)CCCCS(=O)(=O)[O-])/C)/CCC1=CC=CC=C1

InChI

InChI=1S/C23H37NO3S/c1-21(15-16-23-13-6-5-7-14-23)11-10-12-22(2)17-19-24(3,4)18-8-9-20-28(25,26)27/h5-7,11,13-14,17H,8-10,12,15-16,18-20H2,1-4H3/b21-11+,22-17+