2-[2,3,3-trimethyl-1-(2-sulfoethyl)indol-1-ium-5-yl]ethanoic acid

Systemtic Name: 2-[2,3,3-trimethyl-1-(2-sulfoethyl)indol-1-ium-5-yl]ethanoic acid Openeye Name: 2-[2,3,3-trimethyl-1-(2-sulfoethyl)indol-1-ium-5-yl]acetic acid CAS Name: 2-[2,3,3-trimethyl-1-(2-sulfoethyl)-5-indol-1-iumyl]acetic acid IUPAC Name: 2-[2,3,3-trimethyl-1-(2-sulfoethyl)indol-1-ium-5-yl]acetic acid Traditional Name: 2-[2,3,3-trimethyl-1-(2-sulfoethyl)indol-1-ium-5-yl]acetic acid Formula: C15H20NO5S+ MolecularWeight: 326.388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO5S/c1-10-15(2,3)12-8-11(9-14(17)18)4-5-13(12)16(10)6-7-22(19,20)21/h4-5,8H,6-7,9H2,1-3H3,(H-,17,18,19,20,21)/p+1