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

Systemtic Name: 9-methoxy-7-(3-methoxyphenyl)-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-7-(3-methoxyphenyl)-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(3-methoxyphenyl)-4-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(3-methoxyphenyl)-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-7-(3-methoxyphenyl)-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C27H28N3O3+ MolecularWeight: 442.52952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CN4C5=CC=CC=N5

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CN4C5=CC=CC=N5

InChI

InChI=1S/C27H27N3O3/c1-31-24-9-5-7-20(16-24)21-15-22-18-29(13-14-33-27(22)25(17-21)32-2)19-23-8-6-12-30(23)26-10-3-4-11-28-26/h3-12,15-17H,13-14,18-19H2,1-2H3/p+1