methyl 1-[[4-[(2S)-2-methoxy-2-phenyl-ethanoyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[[4-[(2S)-2-methoxy-2-phenyl-ethanoyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[4-[(2S)-2-methoxy-2-phenyl-acetyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-[(2S)-2-methoxy-1-oxo-2-phenylethyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-[(2S)-2-methoxy-2-phenylacetyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[4-[(2S)-2-methoxy-2-phenyl-acetyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C26H33N2O5+ MolecularWeight: 453.55062

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCC(CC4)C(=O)OC

Isomeric SMILES

CO[C@@H](C1=CC=CC=C1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCC(CC4)C(=O)OC

InChI

InChI=1S/C26H32N2O5/c1-31-24(20-6-4-3-5-7-20)25(29)28-14-15-33-23-9-8-19(16-22(23)18-28)17-27-12-10-21(11-13-27)26(30)32-2/h3-9,16,21,24H,10-15,17-18H2,1-2H3/p+1/t24-/m0/s1