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

Systemtic Name: 4-ethyl-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-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-ethyl-7-[(4-phenylmethoxy-1-piperidin-1-iumyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-ethyl-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-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C24H34N2O2+2 MolecularWeight: 382.53896

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCOC2=C(C1)C=C(C=C2)C[NH+]3CCC(CC3)OCC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCOC2=C(C1)C=C(C=C2)C[NH+]3CCC(CC3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H32N2O2/c1-2-25-14-15-27-24-9-8-21(16-22(24)18-25)17-26-12-10-23(11-13-26)28-19-20-6-4-3-5-7-20/h3-9,16,23H,2,10-15,17-19H2,1H3/p+2