1-[1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyl-triazole-4-carboxamide CAS Name: 1-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-piperidin-1-iumyl]-N-cyclopropyl-4-triazolecarboxamide IUPAC Name: 1-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyltriazole-4-carboxamide Traditional Name: 1-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyl-triazole-4-carboxamide Formula: C19H23ClN5O3+ MolecularWeight: 404.87062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CN(N=N2)C3CC[NH+](CC3)CC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

C1CC1NC(=O)C2=CN(N=N2)C3CC[NH+](CC3)CC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C19H22ClN5O3/c20-15-8-18-17(27-11-28-18)7-12(15)9-24-5-3-14(4-6-24)25-10-16(22-23-25)19(26)21-13-1-2-13/h7-8,10,13-14H,1-6,9,11H2,(H,21,26)/p+1