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

Systemtic Name: 1-[1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-[(5-chloro-2-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyl-triazole-4-carboxamide CAS Name: 1-[1-[(5-chloro-2-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-N-cyclopropyl-4-triazolecarboxamide IUPAC Name: 1-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyltriazole-4-carboxamide Traditional Name: 1-[1-(5-chloro-2-hydroxy-benzyl)piperidin-1-ium-4-yl]-N-cyclopropyl-triazole-4-carboxamide Formula: C18H23ClN5O2+ MolecularWeight: 376.86052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CN(N=N2)C3CC[NH+](CC3)CC4=C(C=CC(=C4)Cl)O

Isomeric SMILES

C1CC1NC(=O)C2=CN(N=N2)C3CC[NH+](CC3)CC4=C(C=CC(=C4)Cl)O

InChI

InChI=1S/C18H22ClN5O2/c19-13-1-4-17(25)12(9-13)10-23-7-5-15(6-8-23)24-11-16(21-22-24)18(26)20-14-2-3-14/h1,4,9,11,14-15,25H,2-3,5-8,10H2,(H,20,26)/p+1