(2S)-2-phenyl-4-(pyridin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2S)-2-phenyl-4-(pyridin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-2-phenyl-4-(2-pyridylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-2-phenyl-4-(2-pyridinylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-2-phenyl-4-(pyridin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-2-phenyl-4-(2-pyridylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C21H21N2O+ MolecularWeight: 317.40424

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2C[NH+]1CC3=CC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2C[NH+]1CC3=CC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O/c1-2-8-17(9-3-1)21-16-23(15-19-11-6-7-13-22-19)14-18-10-4-5-12-20(18)24-21/h1-13,21H,14-16H2/p+1/t21-/m1/s1