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

Systemtic Name: 6-chloranyl-4-oxidanylidene-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]chromene-2-carboxamide Openeye Name: 6-chloro-4-oxo-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]chromene-2-carboxamide CAS Name: 6-chloro-4-oxo-N-[(2R)-2-phenyl-2-(1-piperidin-1-iumyl)ethyl]-1-benzopyran-2-carboxamide IUPAC Name: 6-chloro-4-oxo-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-ylethyl]chromene-2-carboxamide Traditional Name: 6-chloro-4-keto-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]chromene-2-carboxamide Formula: C23H24ClN2O3+ MolecularWeight: 411.90126

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN2O3/c24-17-9-10-21-18(13-17)20(27)14-22(29-21)23(28)25-15-19(16-7-3-1-4-8-16)26-11-5-2-6-12-26/h1,3-4,7-10,13-14,19H,2,5-6,11-12,15H2,(H,25,28)/p+1/t19-/m0/s1