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

Systemtic Name: 7-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-4-(pyridin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-[(4-benzyloxypiperidin-1-ium-1-yl)methyl]-4-(2-pyridylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-[(4-phenylmethoxy-1-piperidin-1-iumyl)methyl]-4-(2-pyridinylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-4-(pyridin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-[(4-benzoxypiperidin-1-ium-1-yl)methyl]-4-(2-pyridylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C28H35N3O2+2 MolecularWeight: 445.5964

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCC[NH+](C4)CC5=CC=CC=N5

Isomeric SMILES

C1C[NH+](CCC1OCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCC[NH+](C4)CC5=CC=CC=N5

InChI

InChI=1S/C28H33N3O2/c1-2-6-23(7-3-1)22-33-27-11-14-30(15-12-27)19-24-9-10-28-25(18-24)20-31(16-17-32-28)21-26-8-4-5-13-29-26/h1-10,13,18,27H,11-12,14-17,19-22H2/p+2