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

Systemtic Name: 4-(phenylmethyl)-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-benzyl-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-(phenylmethyl)-7-(2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-benzyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-benzyl-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C21H21N2O2+ MolecularWeight: 333.40364

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C[NH+]1CC3=CC=CC=C3)C=C(C=C2O)C4=CC=CC=N4

Isomeric SMILES

C1COC2=C(C[NH+]1CC3=CC=CC=C3)C=C(C=C2O)C4=CC=CC=N4

InChI

InChI=1S/C21H20N2O2/c24-20-13-17(19-8-4-5-9-22-19)12-18-15-23(10-11-25-21(18)20)14-16-6-2-1-3-7-16/h1-9,12-13,24H,10-11,14-15H2/p+1