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

Systemtic Name: methyl 1-[[4-(2-cyclohexylethanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[4-(2-cyclohexylacetyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-(2-cyclohexyl-1-oxoethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(2-cyclohexylacetyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[4-(2-cyclohexylacetyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C25H37N2O4+ MolecularWeight: 429.57228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CC4CCCCC4

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CC4CCCCC4

InChI

InChI=1S/C25H36N2O4/c1-30-25(29)21-9-11-26(12-10-21)17-20-7-8-23-22(15-20)18-27(13-14-31-23)24(28)16-19-5-3-2-4-6-19/h7-8,15,19,21H,2-6,9-14,16-18H2,1H3/p+1