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

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C15H19ClN5O+ MolecularWeight: 320.79726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

InChI

InChI=1S/C15H18ClN5O/c16-12-4-5-14(21-11-17-10-18-21)13(8-12)19-15(22)9-20-6-2-1-3-7-20/h4-5,8,10-11H,1-3,6-7,9H2,(H,19,22)/p+1