4-[dimethyl(10-phenyldecyl)azaniumyl]butane-1-sulfonate

Systemtic Name: 4-[dimethyl(10-phenyldecyl)azaniumyl]butane-1-sulfonate Openeye Name: 4-[dimethyl(10-phenyldecyl)ammonio]butane-1-sulfonate CAS Name: 4-[dimethyl(10-phenyldecyl)ammonio]-1-butanesulfonate IUPAC Name: 4-[dimethyl(10-phenyldecyl)azaniumyl]butane-1-sulfonate Traditional Name: 4-[dimethyl(10-phenyldecyl)ammonio]butane-1-sulfonate Formula: C22H39NO3S MolecularWeight: 397.61496

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCCCCCCCC1=CC=CC=C1)CCCCS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(CCCCCCCCCCC1=CC=CC=C1)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C22H39NO3S/c1-23(2,20-14-15-21-27(24,25)26)19-13-8-6-4-3-5-7-10-16-22-17-11-9-12-18-22/h9,11-12,17-18H,3-8,10,13-16,19-21H2,1-2H3