N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-morpholin-4-ium-4-yl-acetamide Formula: C14H17ClN5O2+ MolecularWeight: 322.77008

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

Isomeric SMILES

C1COCC[NH+]1CC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

InChI

InChI=1S/C14H16ClN5O2/c15-11-1-2-13(20-10-16-9-17-20)12(7-11)18-14(21)8-19-3-5-22-6-4-19/h1-2,7,9-10H,3-6,8H2,(H,18,21)/p+1