5,6-bis(chloranyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]pyridine-3-carboxamide

Systemtic Name: 5,6-bis(chloranyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]pyridine-3-carboxamide Openeye Name: 5,6-dichloro-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]pyridine-3-carboxamide CAS Name: 5,6-dichloro-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 5,6-dichloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]pyridine-3-carboxamide Traditional Name: 5,6-dichloro-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]nicotinamide Formula: C17H20Cl2N3O2+ MolecularWeight: 369.2656

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC(=C(N=C2)Cl)Cl)C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC(=C(N=C2)Cl)Cl)C3=CC=CO3

InChI

InChI=1S/C17H19Cl2N3O2/c18-13-9-12(10-20-16(13)19)17(23)21-11-14(15-5-4-8-24-15)22-6-2-1-3-7-22/h4-5,8-10,14H,1-3,6-7,11H2,(H,21,23)/p+1/t14-/m0/s1