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

Systemtic Name: 4-[(2-hydroxyphenyl)methyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-[(2-hydroxyphenyl)methyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[(2-hydroxyphenyl)methyl]-7-(3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[(2-hydroxyphenyl)methyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 7-(3-pyridyl)-4-salicyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C21H21N2O3+ MolecularWeight: 349.40304

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C[NH+]1CC3=CC=CC=C3O)C=C(C=C2O)C4=CN=CC=C4

Isomeric SMILES

C1COC2=C(C[NH+]1CC3=CC=CC=C3O)C=C(C=C2O)C4=CN=CC=C4

InChI

InChI=1S/C21H20N2O3/c24-19-6-2-1-4-16(19)13-23-8-9-26-21-18(14-23)10-17(11-20(21)25)15-5-3-7-22-12-15/h1-7,10-12,24-25H,8-9,13-14H2/p+1