N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C25H33N4O4S+ MolecularWeight: 485.61892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H32N4O4S/c30-25(19-27-12-9-20-5-1-2-6-21(20)18-27)26-23-17-22(7-8-24(23)28-10-3-4-11-28)34(31,32)29-13-15-33-16-14-29/h1-2,5-8,17H,3-4,9-16,18-19H2,(H,26,30)/p+1