N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(4-chloro-3-morpholinosulfonyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(4-chloro-3-morpholinosulfonyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C21H25ClN3O4S+ MolecularWeight: 450.9589

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H24ClN3O4S/c22-19-6-5-18(13-20(19)30(27,28)25-9-11-29-12-10-25)23-21(26)15-24-8-7-16-3-1-2-4-17(16)14-24/h1-6,13H,7-12,14-15H2,(H,23,26)/p+1