5-(3-ethoxypropylamino)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-(3-ethoxypropylamino)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-thiadiazole-2-thione Openeye Name: 5-(3-ethoxypropylamino)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-thiadiazole-2-thione CAS Name: 5-(3-ethoxypropylamino)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(3-ethoxypropylamino)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-thiadiazole-2-thione Traditional Name: 5-(3-ethoxypropylamino)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-thiadiazole-2-thione Formula: C17H25N4OS2+ MolecularWeight: 365.5366

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NN(C(=S)S1)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOCCCNC1=NN(C(=S)S1)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H24N4OS2/c1-2-22-11-5-9-18-16-19-21(17(23)24-16)13-20-10-8-14-6-3-4-7-15(14)12-20/h3-4,6-7H,2,5,8-13H2,1H3,(H,18,19)/p+1