5-methoxy-2-[[9-methoxy-7-(6-methoxypyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol

Systemtic Name: 5-methoxy-2-[[9-methoxy-7-(6-methoxypyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Openeye Name: 5-methoxy-2-[[9-methoxy-7-(6-methoxypyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol CAS Name: 5-methoxy-2-[[9-methoxy-7-(6-methoxy-3-pyridazinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol IUPAC Name: 5-methoxy-2-[[9-methoxy-7-(6-methoxypyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Traditional Name: 5-methoxy-2-[[9-methoxy-7-(6-methoxypyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Formula: C23H26N3O5+ MolecularWeight: 424.46964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=NN=C(C=C4)OC)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=NN=C(C=C4)OC)O

InChI

InChI=1S/C23H25N3O5/c1-28-18-5-4-15(20(27)12-18)13-26-8-9-31-23-17(14-26)10-16(11-21(23)29-2)19-6-7-22(30-3)25-24-19/h4-7,10-12,27H,8-9,13-14H2,1-3H3/p+1