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

Systemtic Name: 9-methoxy-7-(6-methoxypyridin-2-yl)-4-[(2-prop-2-enoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-[(2-allyloxyphenyl)methyl]-9-methoxy-7-(6-methoxy-2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(6-methoxy-2-pyridinyl)-4-[(2-prop-2-enoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(6-methoxypyridin-2-yl)-4-[(2-prop-2-enoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-(2-allyloxybenzyl)-9-methoxy-7-(6-methoxy-2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C26H29N2O4+ MolecularWeight: 433.51946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=N1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CC=C4OCC=C

Isomeric SMILES

COC1=CC=CC(=N1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CC=C4OCC=C

InChI

InChI=1S/C26H28N2O4/c1-4-13-31-23-10-6-5-8-19(23)17-28-12-14-32-26-21(18-28)15-20(16-24(26)29-2)22-9-7-11-25(27-22)30-3/h4-11,15-16H,1,12-14,17-18H2,2-3H3/p+1