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

Systemtic Name: 9-methoxy-4-[(2-prop-2-enoxyphenyl)methyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-[(2-allyloxyphenyl)methyl]-9-methoxy-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-[(2-prop-2-enoxyphenyl)methyl]-7-(3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-[(2-prop-2-enoxyphenyl)methyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-(2-allyloxybenzyl)-9-methoxy-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C25H27N2O3+ MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCC[NH+](C2)CC3=CC=CC=C3OCC=C)C4=CN=CC=C4

Isomeric SMILES

COC1=CC(=CC2=C1OCC[NH+](C2)CC3=CC=CC=C3OCC=C)C4=CN=CC=C4

InChI

InChI=1S/C25H26N2O3/c1-3-12-29-23-9-5-4-7-20(23)17-27-11-13-30-25-22(18-27)14-21(15-24(25)28-2)19-8-6-10-26-16-19/h3-10,14-16H,1,11-13,17-18H2,2H3/p+1