2,3,3-trimethyl-1-(2-sulfoethyl)indol-1-ium-5-carboxylic acid

Systemtic Name: 2,3,3-trimethyl-1-(2-sulfoethyl)indol-1-ium-5-carboxylic acid Openeye Name: 2,3,3-trimethyl-1-(2-sulfoethyl)indol-1-ium-5-carboxylic acid CAS Name: 2,3,3-trimethyl-1-(2-sulfoethyl)-5-indol-1-iumcarboxylic acid IUPAC Name: 2,3,3-trimethyl-1-(2-sulfoethyl)indol-1-ium-5-carboxylic acid Traditional Name: 2,3,3-trimethyl-1-(2-sulfoethyl)indol-1-ium-5-carboxylic acid Formula: C14H18NO5S+ MolecularWeight: 312.36142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)C(=O)O)CCS(=O)(=O)O

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)C(=O)O)CCS(=O)(=O)O

InChI

InChI=1S/C14H17NO5S/c1-9-14(2,3)11-8-10(13(16)17)4-5-12(11)15(9)6-7-21(18,19)20/h4-5,8H,6-7H2,1-3H3,(H-,16,17,18,19,20)/p+1