9-methoxy-7-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-7-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-7-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-7-(4-methoxyphenyl)-4-o-anisyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C25H28NO4+ MolecularWeight: 406.49412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CC=C4OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CC=C4OC

InChI

InChI=1S/C25H27NO4/c1-27-22-10-8-18(9-11-22)20-14-21-17-26(12-13-30-25(21)24(15-20)29-3)16-19-6-4-5-7-23(19)28-2/h4-11,14-15H,12-13,16-17H2,1-3H3/p+1