(5S)-3-(3-bromophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-2,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: (5S)-3-(3-bromophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-2,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: (5S)-3-(3-bromophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-2,5-dihydroisoxazole-5-carboxamide CAS Name: (5S)-3-(3-bromophenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-2,5-dihydroisoxazole-5-carboxamide IUPAC Name: (5S)-3-(3-bromophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-2,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: (5S)-3-(3-bromophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-isoxazoline-5-carboxamide Formula: C17H23BrN3O3+ MolecularWeight: 397.28682

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2C=C(NO2)C3=CC(=CC=C3)Br

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)[C@@H]2C=C(NO2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H22BrN3O3/c18-14-4-1-3-13(11-14)15-12-16(24-20-15)17(22)19-5-2-6-21-7-9-23-10-8-21/h1,3-4,11-12,16,20H,2,5-10H2,(H,19,22)/p+1/t16-/m0/s1