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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(2,5-diethoxy-4-morpholino-phenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(2,5-diethoxy-4-morpholino-phenyl)acetamide Formula: C22H36N3O4+ MolecularWeight: 406.53894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C22H35N3O4/c1-3-28-20-16-19(25-11-13-27-14-12-25)21(29-4-2)15-18(20)23-22(26)17-24-9-7-5-6-8-10-24/h15-16H,3-14,17H2,1-2H3,(H,23,26)/p+1