4-[3-(4-butylphenyl)propyl-dimethyl-azaniumyl]butane-1-sulfonate

Systemtic Name: 4-[3-(4-butylphenyl)propyl-dimethyl-azaniumyl]butane-1-sulfonate Openeye Name: 4-[3-(4-butylphenyl)propyl-dimethyl-ammonio]butane-1-sulfonate CAS Name: 4-[3-(4-butylphenyl)propyl-dimethylammonio]-1-butanesulfonate IUPAC Name: 4-[3-(4-butylphenyl)propyl-dimethylazaniumyl]butane-1-sulfonate Traditional Name: 4-[3-(4-butylphenyl)propyl-dimethyl-ammonio]butane-1-sulfonate Formula: C19H33NO3S MolecularWeight: 355.53522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CCC[N+](C)(C)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)CCC[N+](C)(C)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C19H33NO3S/c1-4-5-9-18-11-13-19(14-12-18)10-8-16-20(2,3)15-6-7-17-24(21,22)23/h11-14H,4-10,15-17H2,1-3H3