1H-indol-3-ylmethyl(trimethyl)azanium; methyl hydrogen sulfate

Systemtic Name: 1H-indol-3-ylmethyl(trimethyl)azanium; methyl hydrogen sulfate Openeye Name: 1H-indol-3-ylmethyl(trimethyl)ammonium; methyl hydrogen sulfate CAS Name: 1H-indol-3-ylmethyl(trimethyl)ammonium; sulfuric acid methyl ester IUPAC Name: 1H-indol-3-ylmethyl(trimethyl)azanium; methyl hydrogen sulfate Traditional Name: 1H-indol-3-ylmethyl(trimethyl)ammonium; sulfuric acid methyl ester Formula: C13H21N2O4S+ MolecularWeight: 301.38184

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=CNC2=CC=CC=C21.COS(=O)(=O)O

Isomeric SMILES

C[N+](C)(C)CC1=CNC2=CC=CC=C21.COS(=O)(=O)O

InChI

InChI=1S/C12H17N2.CH4O4S/c1-14(2,3)9-10-8-13-12-7-5-4-6-11(10)12;1-5-6(2,3)4/h4-8,13H,9H2,1-3H3;1H3,(H,2,3,4)/q+1;