4-(2,3,3,5-tetramethylindol-1-ium-1-yl)butane-1-sulfonate

Systemtic Name: 4-(2,3,3,5-tetramethylindol-1-ium-1-yl)butane-1-sulfonate Openeye Name: 4-(2,3,3,5-tetramethylindol-1-ium-1-yl)butane-1-sulfonate CAS Name: 4-(2,3,3,5-tetramethyl-1-indol-1-iumyl)-1-butanesulfonate IUPAC Name: 4-(2,3,3,5-tetramethylindol-1-ium-1-yl)butane-1-sulfonate Traditional Name: 4-(2,3,3,5-tetramethylindol-1-ium-1-yl)butane-1-sulfonate Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=C(C2(C)C)C)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=C(C2(C)C)C)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C16H23NO3S/c1-12-7-8-15-14(11-12)16(3,4)13(2)17(15)9-5-6-10-21(18,19)20/h7-8,11H,5-6,9-10H2,1-4H3