4-[(2-methoxyphenyl)methyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol

Systemtic Name: 4-[(2-methoxyphenyl)methyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-[(2-methoxyphenyl)methyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[(2-methoxyphenyl)methyl]-7-(3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[(2-methoxyphenyl)methyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-o-anisyl-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C22H23N2O3+ MolecularWeight: 363.42962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=CN=CC=C4

InChI

InChI=1S/C22H22N2O3/c1-26-21-7-3-2-5-17(21)14-24-9-10-27-22-19(15-24)11-18(12-20(22)25)16-6-4-8-23-13-16/h2-8,11-13,25H,9-10,14-15H2,1H3/p+1