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

Systemtic Name: methyl 1-[(4-cyclopentylcarbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[4-(cyclopentanecarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-[cyclopentyl(oxo)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(cyclopentanecarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[4-(cyclopentanecarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C23H33N2O4+ MolecularWeight: 401.51912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4CCCC4

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4CCCC4

InChI

InChI=1S/C23H32N2O4/c1-28-23(27)19-8-10-24(11-9-19)15-17-6-7-21-20(14-17)16-25(12-13-29-21)22(26)18-4-2-3-5-18/h6-7,14,18-19H,2-5,8-13,15-16H2,1H3/p+1