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

Systemtic Name: N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(4-methoxy-3-morpholinosulfonyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(4-methoxy-3-morpholinosulfonyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C22H28N3O5S+ MolecularWeight: 446.53982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H27N3O5S/c1-29-20-7-6-19(14-21(20)31(27,28)25-10-12-30-13-11-25)23-22(26)16-24-9-8-17-4-2-3-5-18(17)15-24/h2-7,14H,8-13,15-16H2,1H3,(H,23,26)/p+1