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

Systemtic Name: 9-methoxy-7-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-7-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-m-anisyl-9-methoxy-7-(3-methoxyphenyl)-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=CC(=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CC(=CC=C4)OC

Isomeric SMILES

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

InChI

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