N-[[(3R)-1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[(3R)-1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[(3R)-1-[(5-chloro-2-hydroxy-phenyl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[(3R)-1-[(5-chloro-2-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[(3R)-1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[(3R)-1-(5-chloro-2-hydroxy-benzyl)piperidin-1-ium-3-yl]methyl]nicotinamide Formula: C19H23ClN3O2+ MolecularWeight: 360.85782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(C=CC(=C2)Cl)O)CNC(=O)C3=CN=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C(C=CC(=C2)Cl)O)CNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H22ClN3O2/c20-17-5-6-18(24)16(9-17)13-23-8-2-3-14(12-23)10-22-19(25)15-4-1-7-21-11-15/h1,4-7,9,11,14,24H,2-3,8,10,12-13H2,(H,22,25)/p+1/t14-/m1/s1