4-spiro[1,4-oxazinan-4-ium-4,5'-3,4-dihydro-2H-1,5-benzoxazepin-5-ium]-9'-yloxane-4-carbonitrile

Systemtic Name: 4-spiro[1,4-oxazinan-4-ium-4,5'-3,4-dihydro-2H-1,5-benzoxazepin-5-ium]-9'-yloxane-4-carbonitrile Openeye Name: 4-spiro[1,4-oxazinan-4-ium-4,5'-3,4-dihydro-2H-1,5-benzoxazepin-5-ium]-9'-yltetrahydropyran-4-carbonitrile CAS Name: 4-(9'-spiro[1,4-oxazinan-4-ium-4,5'-3,4-dihydro-2H-1,5-benzoxazepin-5-ium]yl)-4-oxanecarbonitrile IUPAC Name: 4-spiro[1,4-oxazinan-4-ium-4,5'-3,4-dihydro-2H-1,5-benzoxazepin-5-ium]-9'-yloxane-4-carbonitrile Traditional Name: 4-spiro[1,4-oxazinan-4-ium-4,5'-3,4-dihydro-2H-1,5-benzoxazepin-5-ium]-9'-yltetrahydropyran-4-carbonitrile Formula: C19H25N2O3+ MolecularWeight: 329.4134

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCOCC2)C3=CC=CC(=C3OC1)C4(CCOCC4)C#N

Isomeric SMILES

C1C[N+]2(CCOCC2)C3=CC=CC(=C3OC1)C4(CCOCC4)C#N

InChI

InChI=1S/C19H25N2O3/c20-15-19(5-11-22-12-6-19)16-3-1-4-17-18(16)24-10-2-7-21(17)8-13-23-14-9-21/h1,3-4H,2,5-14H2/q+1