3-[4-ethyl-5-sulfanylidene-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-ethyl-5-sulfanylidene-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-ethyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-5-sulfanylidene-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-ethyl-5-sulfanylidene-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C17H24N5OS+ MolecularWeight: 346.47036

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCC3=CC=CC=C3C2)CCC(=O)N

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC3=CC=CC=C3C2)CCC(=O)N

InChI

InChI=1S/C17H23N5OS/c1-2-21-16(8-7-15(18)23)19-22(17(21)24)12-20-10-9-13-5-3-4-6-14(13)11-20/h3-6H,2,7-12H2,1H3,(H2,18,23)/p+1