ethyl 4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoylamino]benzoate CAS Name: 4-[[[4-(4-morpholin-4-iumylmethyl)anilino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoylamino]benzoate Traditional Name: 4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoylamino]benzoic acid ethyl ester Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C21H25N3O4/c1-2-28-20(25)17-5-9-19(10-6-17)23-21(26)22-18-7-3-16(4-8-18)15-24-11-13-27-14-12-24/h3-10H,2,11-15H2,1H3,(H2,22,23,26)/p+1