5,6-bis(chloranyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]pyridine-3-carboxamide

Systemtic Name: 5,6-bis(chloranyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]pyridine-3-carboxamide Openeye Name: 5,6-dichloro-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]pyridine-3-carboxamide CAS Name: 5,6-dichloro-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-3-pyridinecarboxamide IUPAC Name: 5,6-dichloro-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide Traditional Name: 5,6-dichloro-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]nicotinamide Formula: C16H18Cl2N3O2S+ MolecularWeight: 387.30402

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CC(=C(N=C2)Cl)Cl)C3=CC=CS3

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=CC(=C(N=C2)Cl)Cl)C3=CC=CS3

InChI

InChI=1S/C16H17Cl2N3O2S/c17-12-8-11(9-19-15(12)18)16(22)20-10-13(14-2-1-7-24-14)21-3-5-23-6-4-21/h1-2,7-9,13H,3-6,10H2,(H,20,22)/p+1/t13-/m0/s1