4-[9-(4-methoxyphenyl)nonyl-dimethyl-azaniumyl]butane-1-sulfonate

Systemtic Name: 4-[9-(4-methoxyphenyl)nonyl-dimethyl-azaniumyl]butane-1-sulfonate Openeye Name: 4-[9-(4-methoxyphenyl)nonyl-dimethyl-ammonio]butane-1-sulfonate CAS Name: 4-[9-(4-methoxyphenyl)nonyl-dimethylammonio]-1-butanesulfonate IUPAC Name: 4-[9-(4-methoxyphenyl)nonyl-dimethylazaniumyl]butane-1-sulfonate Traditional Name: 4-[9-(4-methoxyphenyl)nonyl-dimethyl-ammonio]butane-1-sulfonate Formula: C22H39NO4S MolecularWeight: 413.61436

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCCCCCCC1=CC=C(C=C1)OC)CCCCS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(CCCCCCCCCC1=CC=C(C=C1)OC)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C22H39NO4S/c1-23(2,19-11-12-20-28(24,25)26)18-10-8-6-4-5-7-9-13-21-14-16-22(27-3)17-15-21/h14-17H,4-13,18-20H2,1-3H3