4-[[(2E,6E)-3,7-dimethyl-8-phenyl-octa-2,6-dienyl]-dimethyl-azaniumyl]butane-1-sulfonate

Systemtic Name: 4-[[(2E,6E)-3,7-dimethyl-8-phenyl-octa-2,6-dienyl]-dimethyl-azaniumyl]butane-1-sulfonate Openeye Name: 4-[[(2E,6E)-3,7-dimethyl-8-phenyl-octa-2,6-dienyl]-dimethyl-ammonio]butane-1-sulfonate CAS Name: 4-[[(2E,6E)-3,7-dimethyl-8-phenylocta-2,6-dienyl]-dimethylammonio]-1-butanesulfonate IUPAC Name: 4-[[(2E,6E)-3,7-dimethyl-8-phenylocta-2,6-dienyl]-dimethylazaniumyl]butane-1-sulfonate Traditional Name: 4-[[(2E,6E)-3,7-dimethyl-8-phenyl-octa-2,6-dienyl]-dimethyl-ammonio]butane-1-sulfonate Formula: C22H35NO3S MolecularWeight: 393.5832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\C[N+](C)(C)CCCCS(=O)(=O)[O-])/CC/C=C(\C)/CC1=CC=CC=C1

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/h5-7,12-15H,8-11,16-19H2,1-4H3/b20-15+,21-12+