1,3,3-trimethyl-2-[(1E,3E)-4-phenylazanylbuta-1,3-dienyl]indol-1-ium-5-sulfonic acid

Systemtic Name: 1,3,3-trimethyl-2-[(1E,3E)-4-phenylazanylbuta-1,3-dienyl]indol-1-ium-5-sulfonic acid Openeye Name: 2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-1,3,3-trimethyl-indol-1-ium-5-sulfonic acid CAS Name: 2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-1,3,3-trimethyl-5-indol-1-iumsulfonic acid IUPAC Name: 2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-1,3,3-trimethylindol-1-ium-5-sulfonic acid Traditional Name: 2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-1,3,3-trimethyl-indol-1-ium-5-sulfonic acid Formula: C21H23N2O3S+ MolecularWeight: 383.48392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1C=CC=CNC3=CC=CC=C3)C)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1/C=C/C=C/NC3=CC=CC=C3)C)C

InChI

InChI=1S/C21H22N2O3S/c1-21(2)18-15-17(27(24,25)26)12-13-19(18)23(3)20(21)11-7-8-14-22-16-9-5-4-6-10-16/h4-15H,1-3H3,(H,24,25,26)/p+1