N-(6-chloranyl-4-oxidanylidene-3-phenyl-chromen-2-yl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(6-chloranyl-4-oxidanylidene-3-phenyl-chromen-2-yl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(6-chloro-4-oxo-3-phenyl-chromen-2-yl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(6-chloro-4-oxo-3-phenyl-1-benzopyran-2-yl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(6-chloro-4-oxo-3-phenylchromen-2-yl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(6-chloro-4-keto-3-phenyl-chromen-2-yl)-2-piperidin-1-ium-1-yl-acetamide Formula: C22H22ClN2O3+ MolecularWeight: 397.87468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H21ClN2O3/c23-16-9-10-18-17(13-16)21(27)20(15-7-3-1-4-8-15)22(28-18)24-19(26)14-25-11-5-2-6-12-25/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,24,26)/p+1