4-(oxan-4-yl)-7-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 4-(oxan-4-yl)-7-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-[(4-benzyloxypiperidin-1-ium-1-yl)methyl]-4-tetrahydropyran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-(4-oxanyl)-7-[(4-phenylmethoxy-1-piperidin-1-iumyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-(oxan-4-yl)-7-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-[(4-benzoxypiperidin-1-ium-1-yl)methyl]-4-tetrahydropyran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C27H38N2O3+2 MolecularWeight: 438.60222

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCC[NH+](C4)C5CCOCC5

Isomeric SMILES

C1C[NH+](CCC1OCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCC[NH+](C4)C5CCOCC5

InChI

InChI=1S/C27H36N2O3/c1-2-4-22(5-3-1)21-32-26-8-12-28(13-9-26)19-23-6-7-27-24(18-23)20-29(14-17-31-27)25-10-15-30-16-11-25/h1-7,18,25-26H,8-17,19-21H2/p+2