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

Systemtic Name: 4-(furan-2-ylmethyl)-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-(2-furylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-(2-furanylmethyl)-7-[(4-phenylmethoxy-1-piperidin-1-iumyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-(furan-2-ylmethyl)-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-(2-furfuryl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C27H34N2O3+2 MolecularWeight: 434.57046

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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=CO5

Isomeric SMILES

C1C[NH+](CCC1OCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCC[NH+](C4)CC5=CC=CO5

InChI

InChI=1S/C27H32N2O3/c1-2-5-22(6-3-1)21-32-25-10-12-28(13-11-25)18-23-8-9-27-24(17-23)19-29(14-16-31-27)20-26-7-4-15-30-26/h1-9,15,17,25H,10-14,16,18-21H2/p+2