5-[(3-bromophenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate

Systemtic Name: 5-[(3-bromophenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate Openeye Name: 5-[(3-bromophenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate CAS Name: 5-[(3-bromophenyl)methylamino]-2-(4-morpholin-4-iumyl)benzoate IUPAC Name: 5-[(3-bromophenyl)methylamino]-2-morpholin-4-ium-4-ylbenzoate Traditional Name: 5-[(3-bromobenzyl)amino]-2-morpholin-4-ium-4-yl-benzoate Formula: C18H19BrN2O3 MolecularWeight: 391.25906

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C2=C(C=C(C=C2)NCC3=CC(=CC=C3)Br)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1C2=C(C=C(C=C2)NCC3=CC(=CC=C3)Br)C(=O)[O-]

InChI

InChI=1S/C18H19BrN2O3/c19-14-3-1-2-13(10-14)12-20-15-4-5-17(16(11-15)18(22)23)21-6-8-24-9-7-21/h1-5,10-11,20H,6-9,12H2,(H,22,23)