methyl 1-[[4-(4-morpholin-4-ylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[[4-(4-morpholin-4-ylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[4-(4-morpholinobenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-[[4-(4-morpholinyl)phenyl]-oxomethyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(4-morpholin-4-ylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[4-(4-morpholinobenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C28H36N3O5+ MolecularWeight: 494.60254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C28H35N3O5/c1-34-28(33)23-8-10-29(11-9-23)19-21-2-7-26-24(18-21)20-31(14-17-36-26)27(32)22-3-5-25(6-4-22)30-12-15-35-16-13-30/h2-7,18,23H,8-17,19-20H2,1H3/p+1