N-[2-[1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide

Systemtic Name: N-[2-[1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: N-[2-[1-[(5-chloro-2-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide CAS Name: N-[2-[1-[(5-chloro-2-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: N-[2-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: N-[2-[1-(5-chloro-2-hydroxy-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Formula: C17H22ClN4O2+ MolecularWeight: 349.83518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C17H21ClN4O2/c1-12(23)20-17-4-7-19-22(17)15-5-8-21(9-6-15)11-13-10-14(18)2-3-16(13)24/h2-4,7,10,15,24H,5-6,8-9,11H2,1H3,(H,20,23)/p+1