N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-oxo-chromene-3-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2-oxochromene-3-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-keto-chromene-3-carboxamide Formula: C21H23N2O4+ MolecularWeight: 367.41832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC3=CC=CC=C3OC2=O)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC3=CC=CC=C3OC2=O)C4=CC=CO4

InChI

InChI=1S/C21H22N2O4/c24-20(16-13-15-7-2-3-8-18(15)27-21(16)25)22-14-17(19-9-6-12-26-19)23-10-4-1-5-11-23/h2-3,6-9,12-13,17H,1,4-5,10-11,14H2,(H,22,24)/p+1/t17-/m0/s1