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

Systemtic Name: 4-cyclopentyl-9-methoxy-7-(6-methoxypyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-cyclopentyl-9-methoxy-7-(6-methoxypyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-cyclopentyl-9-methoxy-7-(6-methoxy-3-pyridazinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-cyclopentyl-9-methoxy-7-(6-methoxypyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-cyclopentyl-9-methoxy-7-(6-methoxypyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)C4CCCC4

Isomeric SMILES

COC1=NN=C(C=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)C4CCCC4

InChI

InChI=1S/C20H25N3O3/c1-24-18-12-14(17-7-8-19(25-2)22-21-17)11-15-13-23(9-10-26-20(15)18)16-5-3-4-6-16/h7-8,11-12,16H,3-6,9-10,13H2,1-2H3/p+1