1-butyl-2,3,3-trimethyl-indol-1-ium-5-sulfonic acid

Systemtic Name: 1-butyl-2,3,3-trimethyl-indol-1-ium-5-sulfonic acid Openeye Name: 1-butyl-2,3,3-trimethyl-indol-1-ium-5-sulfonic acid CAS Name: 1-butyl-2,3,3-trimethyl-5-indol-1-iumsulfonic acid IUPAC Name: 1-butyl-2,3,3-trimethylindol-1-ium-5-sulfonic acid Traditional Name: 1-butyl-2,3,3-trimethyl-indol-1-ium-5-sulfonic acid Formula: C15H22NO3S+ MolecularWeight: 296.40508

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C(C2=C1C=CC(=C2)S(=O)(=O)O)(C)C)C

Isomeric SMILES

CCCC[N+]1=C(C(C2=C1C=CC(=C2)S(=O)(=O)O)(C)C)C

InChI

InChI=1S/C15H21NO3S/c1-5-6-9-16-11(2)15(3,4)13-10-12(20(17,18)19)7-8-14(13)16/h7-8,10H,5-6,9H2,1-4H3/p+1