1-[(2-chlorophenyl)methyl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methyl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-oxo-pyridine-3-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-6-oxo-3-pyridinecarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-6-oxopyridine-3-carboxamide Traditional Name: 1-(2-chlorobenzyl)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-keto-nicotinamide Formula: C23H25ClN3O3+ MolecularWeight: 426.9159

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CN(C(=O)C=C2)CC3=CC=CC=C3Cl)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CN(C(=O)C=C2)CC3=CC=CC=C3Cl)C4=CC=CO4

InChI

InChI=1S/C23H24ClN3O3/c24-19-7-2-1-6-17(19)15-27-16-18(9-10-22(27)28)23(29)25-14-20(21-8-5-13-30-21)26-11-3-4-12-26/h1-2,5-10,13,16,20H,3-4,11-12,14-15H2,(H,25,29)/p+1/t20-/m0/s1