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

Systemtic Name: 9-methoxy-7-(4-methoxyphenyl)-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-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(4-methoxyphenyl)-4-[(2-prop-2-enoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(4-methoxyphenyl)-4-[(2-prop-2-enoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-(2-allyloxybenzyl)-9-methoxy-7-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C27H30NO4+ MolecularWeight: 432.5314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CC=C4OCC=C

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CC=C4OCC=C

InChI

InChI=1S/C27H29NO4/c1-4-14-31-25-8-6-5-7-21(25)18-28-13-15-32-27-23(19-28)16-22(17-26(27)30-3)20-9-11-24(29-2)12-10-20/h4-12,16-17H,1,13-15,18-19H2,2-3H3/p+1