5-chloranyl-3-methyl-1-(2-oxidanylidenepropyl)-1-sulfanyl-2,3-dihydroindol-1-ium-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-methyl-1-(2-oxidanylidenepropyl)-1-sulfanyl-2,3-dihydroindol-1-ium-2-carboxylic acid Openeye Name: 1-acetonyl-5-chloro-3-methyl-1-sulfanyl-indolin-1-ium-2-carboxylic acid CAS Name: 5-chloro-1-mercapto-3-methyl-1-(2-oxopropyl)-2,3-dihydroindol-1-ium-2-carboxylic acid IUPAC Name: 5-chloro-3-methyl-1-(2-oxopropyl)-1-sulfanyl-2,3-dihydroindol-1-ium-2-carboxylic acid Traditional Name: 1-acetonyl-5-chloro-1-mercapto-3-methyl-indolin-1-ium-2-carboxylic acid Formula: C13H15ClNO3S+ MolecularWeight: 300.7811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C([N+](C2=C1C=C(C=C2)Cl)(CC(=O)C)S)C(=O)O

Isomeric SMILES

CC1C([N+](C2=C1C=C(C=C2)Cl)(CC(=O)C)S)C(=O)O

InChI

InChI=1S/C13H14ClNO3S/c1-7(16)6-15(19)11-4-3-9(14)5-10(11)8(2)12(15)13(17)18/h3-5,8,12,19H,6H2,1-2H3/p+1