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

Systemtic Name: 4-(2-methylpropyl)-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-isobutyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-(2-methylpropyl)-7-[(4-phenylmethoxy-1-piperidin-1-iumyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-(2-methylpropyl)-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-isobutyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C26H38N2O2+2 MolecularWeight: 410.59212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O2/c1-21(2)17-28-14-15-29-26-9-8-23(16-24(26)19-28)18-27-12-10-25(11-13-27)30-20-22-6-4-3-5-7-22/h3-9,16,21,25H,10-15,17-20H2,1-2H3/p+2