(5-bromanyl-1H-indol-3-yl)methyl-trimethyl-azanium; methyl sulfate

Systemtic Name: (5-bromanyl-1H-indol-3-yl)methyl-trimethyl-azanium; methyl sulfate Openeye Name: (5-bromo-1H-indol-3-yl)methyl-trimethyl-ammonium; methyl sulfate CAS Name: (5-bromo-1H-indol-3-yl)methyl-trimethylammonium; methyl sulfate IUPAC Name: (5-bromo-1H-indol-3-yl)methyl-trimethylazanium; methyl sulfate Traditional Name: (5-bromo-1H-indol-3-yl)methyl-trimethyl-ammonium; methyl sulfate Formula: C13H19BrN2O4S MolecularWeight: 379.26996

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=CNC2=C1C=C(C=C2)Br.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CC1=CNC2=C1C=C(C=C2)Br.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H16BrN2.CH4O4S/c1-15(2,3)8-9-7-14-12-5-4-10(13)6-11(9)12;1-5-6(2,3)4/h4-7,14H,8H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1