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

Systemtic Name: 2-[3-(2,3,3-trimethyl-5-sulfo-indol-1-ium-1-yl)propoxy]ethanoic acid Openeye Name: 2-[3-(2,3,3-trimethyl-5-sulfo-indol-1-ium-1-yl)propoxy]acetic acid CAS Name: 2-[3-(2,3,3-trimethyl-5-sulfo-1-indol-1-iumyl)propoxy]acetic acid IUPAC Name: 2-[3-(2,3,3-trimethyl-5-sulfoindol-1-ium-1-yl)propoxy]acetic acid Traditional Name: 2-[3-(2,3,3-trimethyl-5-sulfo-indol-1-ium-1-yl)propoxy]acetic acid Formula: C16H22NO6S+ MolecularWeight: 356.41398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO6S/c1-11-16(2,3)13-9-12(24(20,21)22)5-6-14(13)17(11)7-4-8-23-10-15(18)19/h5-6,9H,4,7-8,10H2,1-3H3,(H-,18,19,20,21,22)/p+1