4-[dimethyl-[6-(4-phenylphenyl)hexyl]azaniumyl]butane-1-sulfonate

Systemtic Name: 4-[dimethyl-[6-(4-phenylphenyl)hexyl]azaniumyl]butane-1-sulfonate Openeye Name: 4-[dimethyl-[6-(4-phenylphenyl)hexyl]ammonio]butane-1-sulfonate CAS Name: 4-[dimethyl-[6-(4-phenylphenyl)hexyl]ammonio]-1-butanesulfonate IUPAC Name: 4-[dimethyl-[6-(4-phenylphenyl)hexyl]azaniumyl]butane-1-sulfonate Traditional Name: 4-[dimethyl-[6-(4-phenylphenyl)hexyl]ammonio]butane-1-sulfonate Formula: C24H35NO3S MolecularWeight: 417.6046

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCCCC1=CC=C(C=C1)C2=CC=CC=C2)CCCCS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(CCCCCCC1=CC=C(C=C1)C2=CC=CC=C2)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C24H35NO3S/c1-25(2,20-10-11-21-29(26,27)28)19-9-4-3-6-12-22-15-17-24(18-16-22)23-13-7-5-8-14-23/h5,7-8,13-18H,3-4,6,9-12,19-21H2,1-2H3