(2R)-2-(2-oxidanylidenechromen-7-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide

Systemtic Name: (2R)-2-(2-oxidanylidenechromen-7-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide Openeye Name: (2R)-2-(2-oxochromen-7-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide CAS Name: (2R)-2-[(2-oxo-1-benzopyran-7-yl)oxy]-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)propanamide IUPAC Name: (2R)-2-(2-oxochromen-7-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide Traditional Name: (2R)-2-(2-ketochromen-7-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propionamide Formula: C21H29N2O4+ MolecularWeight: 373.46596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC([NH2+]C(C1)(C)C)(C)C)OC2=CC3=C(C=C2)C=CC(=O)O3

Isomeric SMILES

C[C@H](C(=O)NC1CC([NH2+]C(C1)(C)C)(C)C)OC2=CC3=C(C=C2)C=CC(=O)O3

InChI

InChI=1S/C21H28N2O4/c1-13(19(25)22-15-11-20(2,3)23-21(4,5)12-15)26-16-8-6-14-7-9-18(24)27-17(14)10-16/h6-10,13,15,23H,11-12H2,1-5H3,(H,22,25)/p+1/t13-/m1/s1