1,1,2,4-tetramethyl-3-(3-sulfopropyl)indol-1-ium-6-sulfonic acid

Systemtic Name: 1,1,2,4-tetramethyl-3-(3-sulfopropyl)indol-1-ium-6-sulfonic acid Openeye Name: 1,1,2,4-tetramethyl-3-(3-sulfopropyl)indol-1-ium-6-sulfonic acid CAS Name: 1,1,2,4-tetramethyl-3-(3-sulfopropyl)-6-indol-1-iumsulfonic acid IUPAC Name: 1,1,2,4-tetramethyl-3-(3-sulfopropyl)indol-1-ium-6-sulfonic acid Traditional Name: 1,1,2,4-tetramethyl-3-(3-sulfopropyl)indol-1-ium-6-sulfonic acid Formula: C15H22NO6S2+ MolecularWeight: 376.46828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=C([N+]2(C)C)C)CCCS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC2=C1C(=C([N+]2(C)C)C)CCCS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H21NO6S2/c1-10-8-12(24(20,21)22)9-14-15(10)13(11(2)16(14,3)4)6-5-7-23(17,18)19/h8-9H,5-7H2,1-4H3,(H-,17,18,19,20,21,22)/p+1