5-[(5-chloranylpyridin-3-yl)oxymethyl]-N-[(2S)-2-morpholin-4-ium-4-yl-2-pyridin-2-yl-ethyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(5-chloranylpyridin-3-yl)oxymethyl]-N-[(2S)-2-morpholin-4-ium-4-yl-2-pyridin-2-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[(5-chloro-3-pyridyl)oxymethyl]-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-pyridyl)ethyl]isoxazole-3-carboxamide CAS Name: 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2S)-2-(4-morpholin-4-iumyl)-2-(2-pyridinyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(5-chloropyridin-3-yl)oxymethyl]-N-[(2S)-2-morpholin-4-ium-4-yl-2-pyridin-2-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[(5-chloro-3-pyridyl)oxymethyl]-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-pyridyl)ethyl]isoxazole-3-carboxamide Formula: C21H23ClN5O4+ MolecularWeight: 444.89142

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=NOC(=C2)COC3=CC(=CN=C3)Cl)C4=CC=CC=N4

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=NOC(=C2)COC3=CC(=CN=C3)Cl)C4=CC=CC=N4

InChI

InChI=1S/C21H22ClN5O4/c22-15-9-16(12-23-11-15)30-14-17-10-19(26-31-17)21(28)25-13-20(18-3-1-2-4-24-18)27-5-7-29-8-6-27/h1-4,9-12,20H,5-8,13-14H2,(H,25,28)/p+1/t20-/m0/s1