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

Systemtic Name: N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(2,5-diethoxy-4-morpholino-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(2,5-diethoxy-4-morpholino-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C25H34N3O4+ MolecularWeight: 440.55516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H33N3O4/c1-3-31-23-16-22(28-11-13-30-14-12-28)24(32-4-2)15-21(23)26-25(29)18-27-10-9-19-7-5-6-8-20(19)17-27/h5-8,15-16H,3-4,9-14,17-18H2,1-2H3,(H,26,29)/p+1