9-methoxy-4-[(2-methoxyphenyl)methyl]-7-(6-methoxypyridin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-4-[(2-methoxyphenyl)methyl]-7-(6-methoxypyridin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-[(2-methoxyphenyl)methyl]-7-(6-methoxy-2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-[(2-methoxyphenyl)methyl]-7-(6-methoxy-2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-[(2-methoxyphenyl)methyl]-7-(6-methoxypyridin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-7-(6-methoxy-2-pyridyl)-4-o-anisyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C24H27N2O4+ MolecularWeight: 407.48218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=NC(=CC=C4)OC

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=NC(=CC=C4)OC

InChI

InChI=1S/C24H26N2O4/c1-27-21-9-5-4-7-17(21)15-26-11-12-30-24-19(16-26)13-18(14-22(24)28-2)20-8-6-10-23(25-20)29-3/h4-10,13-14H,11-12,15-16H2,1-3H3/p+1