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

Systemtic Name: methyl 4-[[2-(3-morpholin-4-ium-4-ylpropylamino)-2-oxidanylidene-ethanoyl]amino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H24N3O5+ MolecularWeight: 350.38956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5/c1-24-17(23)13-3-5-14(6-4-13)19-16(22)15(21)18-7-2-8-20-9-11-25-12-10-20/h3-6H,2,7-12H2,1H3,(H,18,21)(H,19,22)/p+1