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

Systemtic Name: 9-methoxy-7-(6-methoxypyridazin-3-yl)-4-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-isobutyl-9-methoxy-7-(6-methoxypyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(6-methoxy-3-pyridazinyl)-4-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(6-methoxypyridazin-3-yl)-4-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-isobutyl-9-methoxy-7-(6-methoxypyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC2=C(C1)C=C(C=C2OC)C3=NN=C(C=C3)OC

Isomeric SMILES

CC(C)C[NH+]1CCOC2=C(C1)C=C(C=C2OC)C3=NN=C(C=C3)OC

InChI

InChI=1S/C19H25N3O3/c1-13(2)11-22-7-8-25-19-15(12-22)9-14(10-17(19)23-3)16-5-6-18(24-4)21-20-16/h5-6,9-10,13H,7-8,11-12H2,1-4H3/p+1