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

Systemtic Name: methyl 1-[[4-(5-methoxy-5-oxidanylidene-pentanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[4-(5-methoxy-5-oxo-pentanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-(5-methoxy-1,5-dioxopentyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(5-methoxy-5-oxopentanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[4-(5-keto-5-methoxy-pentanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C23H33N2O6+ MolecularWeight: 433.51792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)N1CCOC2=C(C1)C=C(C=C2)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

COC(=O)CCCC(=O)N1CCOC2=C(C1)C=C(C=C2)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C23H32N2O6/c1-29-22(27)5-3-4-21(26)25-12-13-31-20-7-6-17(14-19(20)16-25)15-24-10-8-18(9-11-24)23(28)30-2/h6-7,14,18H,3-5,8-13,15-16H2,1-2H3/p+1