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

Systemtic Name: 4-[(4-chlorophenyl)methyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-[(4-chlorophenyl)methyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[(4-chlorophenyl)methyl]-7-(3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[(4-chlorophenyl)methyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-(4-chlorobenzyl)-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C21H20ClN2O2+ MolecularWeight: 367.8487

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C[NH+]1CC3=CC=C(C=C3)Cl)C=C(C=C2O)C4=CN=CC=C4

Isomeric SMILES

C1COC2=C(C[NH+]1CC3=CC=C(C=C3)Cl)C=C(C=C2O)C4=CN=CC=C4

InChI

InChI=1S/C21H19ClN2O2/c22-19-5-3-15(4-6-19)13-24-8-9-26-21-18(14-24)10-17(11-20(21)25)16-2-1-7-23-12-16/h1-7,10-12,25H,8-9,13-14H2/p+1