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

Systemtic Name: 1-[(3S)-1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-N-cyclopentyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3S)-1-[(5-chloro-2-hydroxy-phenyl)methyl]piperidin-1-ium-3-yl]-N-cyclopentyl-triazole-4-carboxamide CAS Name: 1-[(3S)-1-[(5-chloro-2-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]-N-cyclopentyl-4-triazolecarboxamide IUPAC Name: 1-[(3S)-1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-N-cyclopentyltriazole-4-carboxamide Traditional Name: 1-[(3S)-1-(5-chloro-2-hydroxy-benzyl)piperidin-1-ium-3-yl]-N-cyclopentyl-triazole-4-carboxamide Formula: C20H27ClN5O2+ MolecularWeight: 404.91368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CN(N=N2)C3CCC[NH+](C3)CC4=C(C=CC(=C4)Cl)O

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CN(N=N2)[C@H]3CCC[NH+](C3)CC4=C(C=CC(=C4)Cl)O

InChI

InChI=1S/C20H26ClN5O2/c21-15-7-8-19(27)14(10-15)11-25-9-3-6-17(12-25)26-13-18(23-24-26)20(28)22-16-4-1-2-5-16/h7-8,10,13,16-17,27H,1-6,9,11-12H2,(H,22,28)/p+1/t17-/m0/s1