methyl 2-chloranyl-5-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 2-chloro-5-[[4-(morpholin-4-ium-4-ylmethyl)benzoyl]amino]benzoate CAS Name: 2-chloro-5-[[[4-(4-morpholin-4-iumylmethyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[4-(morpholin-4-ium-4-ylmethyl)benzoyl]amino]benzoate Traditional Name: 2-chloro-5-[[4-(morpholin-4-ium-4-ylmethyl)benzoyl]amino]benzoic acid methyl ester Formula: C20H22ClN2O4+ MolecularWeight: 389.85268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3)Cl

InChI

InChI=1S/C20H21ClN2O4/c1-26-20(25)17-12-16(6-7-18(17)21)22-19(24)15-4-2-14(3-5-15)13-23-8-10-27-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,24)/p+1