3-(2,3,3-trimethylindol-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(2,3,3-trimethylindol-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(2,3,3-trimethylindol-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(2,3,3-trimethyl-1-indol-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(2,3,3-trimethylindol-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(2,3,3-trimethylindol-1-ium-1-yl)propane-1-sulfonate Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C1(C)C)CCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C1(C)C)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C14H19NO3S/c1-11-14(2,3)12-7-4-5-8-13(12)15(11)9-6-10-19(16,17)18/h4-5,7-8H,6,9-10H2,1-3H3