3-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-id-1-yl)ethyl-methyl-amino]propane-1,2-dithiolate; oxidanylidenetechnetium(4+)

Systemtic Name: 3-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-id-1-yl)ethyl-methyl-amino]propane-1,2-dithiolate; oxidanylidenetechnetium(4+) Openeye Name: 3-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-id-1-yl)ethyl-methyl-amino]propane-1,2-dithiolate; oxotechnetium(4+) CAS Name: 3-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-id-1-yl)ethyl-methylamino]propane-1,2-dithiolate; oxotechnetium(4+) IUPAC Name: 3-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-id-1-yl)ethyl-methylamino]propane-1,2-dithiolate; oxotechnetium(4+) Traditional Name: ketotechnetium(4+); 3-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-id-1-yl)ethyl-methyl-amino]propane-1,2-dithiolate Formula: C16H23N2O2S2Tc+ MolecularWeight: 437.403236

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1C2=C(CC[N-]1)C=C(C=C2)OC)CC(C[S-])[S-].O=[Tc+4]

Isomeric SMILES

CN(CCC1C2=C(CC[N-]1)C=C(C=C2)OC)CC(C[S-])[S-].O=[Tc+4]

InChI

InChI=1S/C16H25N2OS2.O.Tc/c1-18(10-14(21)11-20)8-6-16-15-4-3-13(19-2)9-12(15)5-7-17-16;;/h3-4,9,14,16,20-21H,5-8,10-11H2,1-2H3;;/q-1;;+4/p-2