9-methoxy-7-(3-methoxyphenyl)-4-[(8-methoxyquinolin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-7-(3-methoxyphenyl)-4-[(8-methoxyquinolin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-7-(3-methoxyphenyl)-4-[(8-methoxy-2-quinolyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(3-methoxyphenyl)-4-[(8-methoxy-2-quinolinyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(3-methoxyphenyl)-4-[(8-methoxyquinolin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-7-(3-methoxyphenyl)-4-[(8-methoxy-2-quinolyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C28H29N2O4+ MolecularWeight: 457.54086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=NC5=C(C=CC=C5OC)C=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=NC5=C(C=CC=C5OC)C=C4

InChI

InChI=1S/C28H28N2O4/c1-31-24-8-4-7-20(15-24)21-14-22-17-30(12-13-34-28(22)26(16-21)33-3)18-23-11-10-19-6-5-9-25(32-2)27(19)29-23/h4-11,14-16H,12-13,17-18H2,1-3H3/p+1