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

Systemtic Name: 1-ethyl-2,3,3-trimethyl-indol-1-ium-5-sulfonic acid Openeye Name: 1-ethyl-2,3,3-trimethyl-indol-1-ium-5-sulfonic acid CAS Name: 1-ethyl-2,3,3-trimethyl-5-indol-1-iumsulfonic acid IUPAC Name: 1-ethyl-2,3,3-trimethylindol-1-ium-5-sulfonic acid Traditional Name: 1-ethyl-2,3,3-trimethyl-indol-1-ium-5-sulfonic acid Formula: C13H18NO3S+ MolecularWeight: 268.35192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-5-14-9(2)13(3,4)11-8-10(18(15,16)17)6-7-12(11)14/h6-8H,5H2,1-4H3/p+1