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

Systemtic Name: 5-morpholin-4-ylsulfonyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-2-thione Openeye Name: 5-morpholinosulfonyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-2-thione CAS Name: 5-(4-morpholinylsulfonyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-2-thione IUPAC Name: 5-morpholin-4-ylsulfonyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-2-thione Traditional Name: 5-morpholinosulfonyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-2-thione Formula: C21H24N3O4S2+ MolecularWeight: 446.56296

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CN3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)OC3=S

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CN3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)OC3=S

InChI

InChI=1S/C21H23N3O4S2/c25-30(26,23-9-11-27-12-10-23)18-5-6-20-19(13-18)24(21(29)28-20)15-22-8-7-16-3-1-2-4-17(16)14-22/h1-6,13H,7-12,14-15H2/p+1