3-(1,1,2-trimethylindol-1-ium-3-yl)propane-1-sulfonic acid

Systemtic Name: 3-(1,1,2-trimethylindol-1-ium-3-yl)propane-1-sulfonic acid Openeye Name: 3-(1,1,2-trimethylindol-1-ium-3-yl)propane-1-sulfonic acid CAS Name: 3-(1,1,2-trimethyl-3-indol-1-iumyl)-1-propanesulfonic acid IUPAC Name: 3-(1,1,2-trimethylindol-1-ium-3-yl)propane-1-sulfonic acid Traditional Name: 3-(1,1,2-trimethylindol-1-ium-3-yl)propane-1-sulfonic acid Formula: C14H20NO3S+ MolecularWeight: 282.3785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2[N+]1(C)C)CCCS(=O)(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2[N+]1(C)C)CCCS(=O)(=O)O

InChI

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