4-(furan-2-ylmethyl)-9-methoxy-7-(6-methoxypyridin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 4-(furan-2-ylmethyl)-9-methoxy-7-(6-methoxypyridin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-(2-furylmethyl)-9-methoxy-7-(6-methoxy-2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-(2-furanylmethyl)-9-methoxy-7-(6-methoxy-2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-(furan-2-ylmethyl)-9-methoxy-7-(6-methoxypyridin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-(2-furfuryl)-9-methoxy-7-(6-methoxy-2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C21H23N2O4+ MolecularWeight: 367.41832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=N1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CO4

Isomeric SMILES

COC1=CC=CC(=N1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CO4

InChI

InChI=1S/C21H22N2O4/c1-24-19-12-15(18-6-3-7-20(22-18)25-2)11-16-13-23(8-10-27-21(16)19)14-17-5-4-9-26-17/h3-7,9,11-12H,8,10,13-14H2,1-2H3/p+1