N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide Traditional Name: 2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]acetamide Formula: C25H32N3O4+ MolecularWeight: 438.53928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CN2C(=O)CCOC3=CC=CC=C32)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CN2C(=O)CCOC3=CC=CC=C32)[NH+]4CCCCC4

InChI

InChI=1S/C25H31N3O4/c1-31-20-11-9-19(10-12-20)22(27-14-5-2-6-15-27)17-26-24(29)18-28-21-7-3-4-8-23(21)32-16-13-25(28)30/h3-4,7-12,22H,2,5-6,13-18H2,1H3,(H,26,29)/p+1/t22-/m0/s1