methyl 2-methyl-3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 2-methyl-3-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 2-methyl-3-[[4-(morpholin-4-ium-4-ylmethyl)benzoyl]amino]benzoate CAS Name: 2-methyl-3-[[[4-(4-morpholin-4-iumylmethyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-3-[[4-(morpholin-4-ium-4-ylmethyl)benzoyl]amino]benzoate Traditional Name: 2-methyl-3-[[4-(morpholin-4-ium-4-ylmethyl)benzoyl]amino]benzoic acid methyl ester Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3)C(=O)OC

InChI

InChI=1S/C21H24N2O4/c1-15-18(21(25)26-2)4-3-5-19(15)22-20(24)17-8-6-16(7-9-17)14-23-10-12-27-13-11-23/h3-9H,10-14H2,1-2H3,(H,22,24)/p+1