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

Systemtic Name: 5-(3-piperidin-1-ylsulfonylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 5-[3-(1-piperidylsulfonyl)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-[3-(1-piperidinylsulfonyl)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3-piperidin-1-ylsulfonylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3-piperidinosulfonylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole-2-thione Formula: C23H27N4O3S2+ MolecularWeight: 471.61548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C(=S)O3)C[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C(=S)O3)C[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C23H26N4O3S2/c28-32(29,26-12-4-1-5-13-26)21-10-6-9-19(15-21)22-24-27(23(31)30-22)17-25-14-11-18-7-2-3-8-20(18)16-25/h2-3,6-10,15H,1,4-5,11-14,16-17H2/p+1