1-hex-5-ynyl-2,3,3-trimethyl-indol-1-ium-5-sulfonate

Systemtic Name: 1-hex-5-ynyl-2,3,3-trimethyl-indol-1-ium-5-sulfonate Openeye Name: 1-hex-5-ynyl-2,3,3-trimethyl-indol-1-ium-5-sulfonate CAS Name: 1-hex-5-ynyl-2,3,3-trimethyl-5-indol-1-iumsulfonate IUPAC Name: 1-hex-5-ynyl-2,3,3-trimethylindol-1-ium-5-sulfonate Traditional Name: 1-hex-5-ynyl-2,3,3-trimethyl-indol-1-ium-5-sulfonate Formula: C17H21NO3S MolecularWeight: 319.41854

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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-])CCCCC#C

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)[O-])CCCCC#C

InChI

InChI=1S/C17H21NO3S/c1-5-6-7-8-11-18-13(2)17(3,4)15-12-14(22(19,20)21)9-10-16(15)18/h1,9-10,12H,6-8,11H2,2-4H3