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

Systemtic Name: 9-methoxy-7-(2-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-7-(2-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(2-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(2-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-m-anisyl-9-methoxy-7-(2-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=C4OC

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CC=CC=C4OC

InChI

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