1-(3-ethanoylsulfanylpropyl)-2,3,3-trimethyl-indol-1-ium-5-sulfonate

Systemtic Name: 1-(3-ethanoylsulfanylpropyl)-2,3,3-trimethyl-indol-1-ium-5-sulfonate Openeye Name: 1-(3-acetylsulfanylpropyl)-2,3,3-trimethyl-indol-1-ium-5-sulfonate CAS Name: 1-[3-(acetylthio)propyl]-2,3,3-trimethyl-5-indol-1-iumsulfonate IUPAC Name: 1-(3-acetylsulfanylpropyl)-2,3,3-trimethylindol-1-ium-5-sulfonate Traditional Name: 1-[3-(acetylthio)propyl]-2,3,3-trimethyl-indol-1-ium-5-sulfonate Formula: C16H21NO4S2 MolecularWeight: 355.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)[O-])CCCSC(=O)C

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)[O-])CCCSC(=O)C

InChI

InChI=1S/C16H21NO4S2/c1-11-16(3,4)14-10-13(23(19,20)21)6-7-15(14)17(11)8-5-9-22-12(2)18/h6-7,10H,5,8-9H2,1-4H3