6-chloranyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxidanylidene-chromene-2-carboxamide

Systemtic Name: 6-chloranyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxidanylidene-chromene-2-carboxamide Openeye Name: 6-chloro-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxo-chromene-2-carboxamide CAS Name: 6-chloro-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: 6-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-oxochromene-2-carboxamide Traditional Name: 6-chloro-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-keto-chromene-2-carboxamide Formula: C21H22ClN2O4+ MolecularWeight: 401.86338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)C4=CC=CO4

InChI

InChI=1S/C21H21ClN2O4/c22-14-6-7-18-15(11-14)17(25)12-20(28-18)21(26)23-13-16(19-5-4-10-27-19)24-8-2-1-3-9-24/h4-7,10-12,16H,1-3,8-9,13H2,(H,23,26)/p+1/t16-/m0/s1