methyl 3-(3-morpholin-4-ium-4-ylpropylcarbamoyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(3-morpholin-4-ium-4-ylpropylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(3-morpholin-4-ium-4-ylpropylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[[3-(4-morpholin-4-iumyl)propylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(3-morpholin-4-ium-4-ylpropylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(3-morpholin-4-ium-4-ylpropylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C16H22N3O6+ MolecularWeight: 352.36238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6/c1-24-16(21)13-9-12(10-14(11-13)19(22)23)15(20)17-3-2-4-18-5-7-25-8-6-18/h9-11H,2-8H2,1H3,(H,17,20)/p+1