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

Systemtic Name: N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,5-diethoxy-4-morpholino-phenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,5-diethoxy-4-morpholino-phenyl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C20H31N4O5+ MolecularWeight: 407.48394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C20H30N4O5/c1-3-28-17-12-16(24-7-9-27-10-8-24)18(29-4-2)11-15(17)22-20(26)14-23-6-5-21-19(25)13-23/h11-12H,3-10,13-14H2,1-2H3,(H,21,25)(H,22,26)/p+1