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

Systemtic Name: 4-(furan-3-ylmethyl)-9-methoxy-7-(6-methoxypyridin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-(3-furylmethyl)-9-methoxy-7-(6-methoxy-2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-(3-furanylmethyl)-9-methoxy-7-(6-methoxy-2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-(furan-3-ylmethyl)-9-methoxy-7-(6-methoxypyridin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-(3-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=COC=C4

Isomeric SMILES

COC1=CC=CC(=N1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=COC=C4

InChI

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