5-morpholin-4-ylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridine-2-thione

Systemtic Name: 5-morpholin-4-ylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridine-2-thione Openeye Name: 5-morpholinosulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridine-2-thione CAS Name: 5-(4-morpholinylsulfonyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-pyridinethione IUPAC Name: 5-morpholin-4-ylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridine-2-thione Traditional Name: 5-morpholinosulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridine-2-thione Formula: C19H24N3O3S2+ MolecularWeight: 406.54216

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CN3C=C(C=CC3=S)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CN3C=C(C=CC3=S)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C19H23N3O3S2/c23-27(24,22-9-11-25-12-10-22)18-5-6-19(26)21(14-18)15-20-8-7-16-3-1-2-4-17(16)13-20/h1-6,14H,7-13,15H2/p+1