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

Systemtic Name: 4-cyclohexyl-9-methoxy-7-(6-methoxypyridin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-cyclohexyl-9-methoxy-7-(6-methoxy-2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-cyclohexyl-9-methoxy-7-(6-methoxy-2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-cyclohexyl-9-methoxy-7-(6-methoxypyridin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-cyclohexyl-9-methoxy-7-(6-methoxy-2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=N1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)C4CCCCC4

Isomeric SMILES

COC1=CC=CC(=N1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)C4CCCCC4

InChI

InChI=1S/C22H28N2O3/c1-25-20-14-16(19-9-6-10-21(23-19)26-2)13-17-15-24(11-12-27-22(17)20)18-7-4-3-5-8-18/h6,9-10,13-14,18H,3-5,7-8,11-12,15H2,1-2H3/p+1