N-[(1S)-2,2,2-tris(chloranyl)-1-piperidin-1-ium-1-yl-ethyl]pyridine-3-carboxamide

Systemtic Name: N-[(1S)-2,2,2-tris(chloranyl)-1-piperidin-1-ium-1-yl-ethyl]pyridine-3-carboxamide Openeye Name: N-[(1S)-2,2,2-trichloro-1-piperidin-1-ium-1-yl-ethyl]pyridine-3-carboxamide CAS Name: N-[(1S)-2,2,2-trichloro-1-(1-piperidin-1-iumyl)ethyl]-3-pyridinecarboxamide IUPAC Name: N-[(1S)-2,2,2-trichloro-1-piperidin-1-ium-1-ylethyl]pyridine-3-carboxamide Traditional Name: N-[(1S)-2,2,2-trichloro-1-piperidin-1-ium-1-yl-ethyl]nicotinamide Formula: C13H17Cl3N3O+ MolecularWeight: 337.65258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C(Cl)(Cl)Cl)NC(=O)C2=CN=CC=C2

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](C(Cl)(Cl)Cl)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C13H16Cl3N3O/c14-13(15,16)12(19-7-2-1-3-8-19)18-11(20)10-5-4-6-17-9-10/h4-6,9,12H,1-3,7-8H2,(H,18,20)/p+1/t12-/m0/s1