methyl 4-chloranyl-3-(2-morpholin-4-ium-4-ylethanoylamino)benzoate

Systemtic Name: methyl 4-chloranyl-3-(2-morpholin-4-ium-4-ylethanoylamino)benzoate Openeye Name: methyl 4-chloro-3-[(2-morpholin-4-ium-4-ylacetyl)amino]benzoate CAS Name: 4-chloro-3-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(2-morpholin-4-ium-4-ylacetyl)amino]benzoate Traditional Name: 4-chloro-3-[(2-morpholin-4-ium-4-ylacetyl)amino]benzoic acid methyl ester Formula: C14H18ClN2O4+ MolecularWeight: 313.75672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O4/c1-20-14(19)10-2-3-11(15)12(8-10)16-13(18)9-17-4-6-21-7-5-17/h2-3,8H,4-7,9H2,1H3,(H,16,18)/p+1