2-(5-methoxy-1H-indol-3-yl)ethyl-(2-sulfosulfanylethyl)azanium

Systemtic Name: 2-(5-methoxy-1H-indol-3-yl)ethyl-(2-sulfosulfanylethyl)azanium Openeye Name: 2-(5-methoxy-1H-indol-3-yl)ethyl-(2-sulfosulfanylethyl)ammonium CAS Name: 2-(5-methoxy-1H-indol-3-yl)ethyl-[2-(sulfothio)ethyl]ammonium IUPAC Name: 2-(5-methoxy-1H-indol-3-yl)ethyl-(2-sulfosulfanylethyl)azanium Traditional Name: 2-(5-methoxy-1H-indol-3-yl)ethyl-[2-(sulfothio)ethyl]ammonium Formula: C13H19N2O4S2+ MolecularWeight: 331.43096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CC[NH2+]CCSS(=O)(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CC[NH2+]CCSS(=O)(=O)O

InChI

InChI=1S/C13H18N2O4S2/c1-19-11-2-3-13-12(8-11)10(9-15-13)4-5-14-6-7-20-21(16,17)18/h2-3,8-9,14-15H,4-7H2,1H3,(H,16,17,18)/p+1