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

Systemtic Name: 9-methoxy-7-(6-methoxypyridazin-3-yl)-4-[(3-phenylmethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-[(3-benzyloxyphenyl)methyl]-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-[(3-phenylmethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(6-methoxypyridazin-3-yl)-4-[(3-phenylmethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-(3-benzoxybenzyl)-9-methoxy-7-(6-methoxypyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C29H30N3O4+ MolecularWeight: 484.5662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=NN=C(C=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O4/c1-33-27-17-23(26-11-12-28(34-2)31-30-26)16-24-19-32(13-14-35-29(24)27)18-22-9-6-10-25(15-22)36-20-21-7-4-3-5-8-21/h3-12,15-17H,13-14,18-20H2,1-2H3/p+1