1,1,2-trimethyl-3-(3-sulfopropyl)indol-1-ium-6-sulfonic acid

Systemtic Name: 1,1,2-trimethyl-3-(3-sulfopropyl)indol-1-ium-6-sulfonic acid Openeye Name: 1,1,2-trimethyl-3-(3-sulfopropyl)indol-1-ium-6-sulfonic acid CAS Name: 1,1,2-trimethyl-3-(3-sulfopropyl)-6-indol-1-iumsulfonic acid IUPAC Name: 1,1,2-trimethyl-3-(3-sulfopropyl)indol-1-ium-6-sulfonic acid Traditional Name: 1,1,2-trimethyl-3-(3-sulfopropyl)indol-1-ium-6-sulfonic acid Formula: C14H20NO6S2+ MolecularWeight: 362.4417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO6S2/c1-10-12(5-4-8-22(16,17)18)13-7-6-11(23(19,20)21)9-14(13)15(10,2)3/h6-7,9H,4-5,8H2,1-3H3,(H-,16,17,18,19,20,21)/p+1