4-ethyl-5-morpholin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-5-morpholin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-5-morpholino-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-5-(4-morpholinyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-5-morpholin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-5-morpholino-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Formula: C18H26N5OS+ MolecularWeight: 360.49694

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCC3=CC=CC=C3C2)N4CCOCC4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC3=CC=CC=C3C2)N4CCOCC4

InChI

InChI=1S/C18H25N5OS/c1-2-22-17(21-9-11-24-12-10-21)19-23(18(22)25)14-20-8-7-15-5-3-4-6-16(15)13-20/h3-6H,2,7-14H2,1H3/p+1