furan-3-yl-[7-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: furan-3-yl-[7-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: [7-[(4-benzyloxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-furyl)methanone CAS Name: 3-furanyl-[7-[(4-phenylmethoxy-1-piperidin-1-iumyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: furan-3-yl-[7-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: [7-[(4-benzoxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-furyl)methanone Formula: C27H31N2O4+ MolecularWeight: 447.54604

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCCN(C4)C(=O)C5=COC=C5

Isomeric SMILES

C1C[NH+](CCC1OCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCCN(C4)C(=O)C5=COC=C5

InChI

InChI=1S/C27H30N2O4/c30-27(23-10-14-31-20-23)29-13-15-32-26-7-6-22(16-24(26)18-29)17-28-11-8-25(9-12-28)33-19-21-4-2-1-3-5-21/h1-7,10,14,16,20,25H,8-9,11-13,15,17-19H2/p+1