[3-[2-(methylazaniumyl)ethyl]-1H-indol-5-yl]methanesulfonate

Systemtic Name: [3-[2-(methylazaniumyl)ethyl]-1H-indol-5-yl]methanesulfonate Openeye Name: [3-[2-(methylammonio)ethyl]-1H-indol-5-yl]methanesulfonate CAS Name: [3-[2-(methylammonio)ethyl]-1H-indol-5-yl]methanesulfonate IUPAC Name: [3-[2-(methylazaniumyl)ethyl]-1H-indol-5-yl]methanesulfonate Traditional Name: [3-[2-(methylammonio)ethyl]-1H-indol-5-yl]methanesulfonate Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)[O-]

Isomeric SMILES

C[NH2+]CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)[O-]

InChI

InChI=1S/C12H16N2O3S/c1-13-5-4-10-7-14-12-3-2-9(6-11(10)12)8-18(15,16)17/h2-3,6-7,13-14H,4-5,8H2,1H3,(H,15,16,17)