5-(2-ethoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(2-ethoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 5-(2-ethoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-(2-ethoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(2-ethoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole-2-thione Traditional Name: 5-o-phenetyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole-2-thione Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NN(C(=S)O2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC1=CC=CC=C1C2=NN(C(=S)O2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H21N3O2S/c1-2-24-18-10-6-5-9-17(18)19-21-23(20(26)25-19)14-22-12-11-15-7-3-4-8-16(15)13-22/h3-10H,2,11-14H2,1H3/p+1