ethyl 4-[[2-(3-morpholin-4-ium-4-ylpropylamino)-2-oxidanylidene-ethanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-(3-morpholin-4-ium-4-ylpropylamino)-2-oxidanylidene-ethanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-(3-morpholin-4-ium-4-ylpropylamino)-2-oxo-acetyl]amino]benzoate CAS Name: 4-[[2-[3-(4-morpholin-4-iumyl)propylamino]-1,2-dioxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-morpholin-4-ium-4-ylpropylamino)-2-oxoacetyl]amino]benzoate Traditional Name: 4-[[2-keto-2-(3-morpholin-4-ium-4-ylpropylamino)acetyl]amino]benzoic acid ethyl ester Formula: C18H26N3O5+ MolecularWeight: 364.41614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCCC[NH+]2CCOCC2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C18H25N3O5/c1-2-26-18(24)14-4-6-15(7-5-14)20-17(23)16(22)19-8-3-9-21-10-12-25-13-11-21/h4-7H,2-3,8-13H2,1H3,(H,19,22)(H,20,23)/p+1