7-(3-chlorophenyl)-4-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol

Systemtic Name: 7-(3-chlorophenyl)-4-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 7-(3-chlorophenyl)-4-(3-pyridylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 7-(3-chlorophenyl)-4-(3-pyridinylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 7-(3-chlorophenyl)-4-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 7-(3-chlorophenyl)-4-(3-pyridylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C21H20ClN2O2+ MolecularWeight: 367.8487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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