2-[2,3,3-trimethyl-1-(4-sulfobutyl)indol-1-ium-5-yl]ethanoic acid

Systemtic Name: 2-[2,3,3-trimethyl-1-(4-sulfobutyl)indol-1-ium-5-yl]ethanoic acid Openeye Name: 2-[2,3,3-trimethyl-1-(4-sulfobutyl)indol-1-ium-5-yl]acetic acid CAS Name: 2-[2,3,3-trimethyl-1-(4-sulfobutyl)-5-indol-1-iumyl]acetic acid IUPAC Name: 2-[2,3,3-trimethyl-1-(4-sulfobutyl)indol-1-ium-5-yl]acetic acid Traditional Name: 2-[2,3,3-trimethyl-1-(4-sulfobutyl)indol-1-ium-5-yl]acetic acid Formula: C17H24NO5S+ MolecularWeight: 354.44116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO5S/c1-12-17(2,3)14-10-13(11-16(19)20)6-7-15(14)18(12)8-4-5-9-24(21,22)23/h6-7,10H,4-5,8-9,11H2,1-3H3,(H-,19,20,21,22,23)/p+1