6-bromanyl-8-methoxy-2-oxidanylidene-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)chromene-3-carboxamide

Systemtic Name: 6-bromanyl-8-methoxy-2-oxidanylidene-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)chromene-3-carboxamide Openeye Name: 6-bromo-8-methoxy-2-oxo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)chromene-3-carboxamide CAS Name: 6-bromo-8-methoxy-2-oxo-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-1-benzopyran-3-carboxamide IUPAC Name: 6-bromo-8-methoxy-2-oxo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)chromene-3-carboxamide Traditional Name: 6-bromo-2-keto-8-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)chromene-3-carboxamide Formula: C20H26BrN2O4+ MolecularWeight: 438.33544

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)Br)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)Br)C

InChI

InChI=1S/C20H25BrN2O4/c1-19(2)9-13(10-20(3,4)23-19)22-17(24)14-7-11-6-12(21)8-15(26-5)16(11)27-18(14)25/h6-8,13,23H,9-10H2,1-5H3,(H,22,24)/p+1