methyl (2R)-1-[[4-(furan-2-ylcarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: methyl (2R)-1-[[4-(furan-2-ylcarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: methyl (2R)-1-[[4-(furan-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[4-[2-furanyl(oxo)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-2-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[[4-(furan-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[4-(2-furoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-2-carboxylic acid methyl ester Formula: C22H27N2O5+ MolecularWeight: 399.46018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCC[NH+]1CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=CO4

Isomeric SMILES

COC(=O)[C@H]1CCCC[NH+]1CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H26N2O5/c1-27-22(26)18-5-2-3-9-23(18)14-16-7-8-19-17(13-16)15-24(10-12-29-19)21(25)20-6-4-11-28-20/h4,6-8,11,13,18H,2-3,5,9-10,12,14-15H2,1H3/p+1/t18-/m1/s1