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

Systemtic Name: 4-[(2S)-2-phenylpropyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-[(2S)-2-phenylpropyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[(2S)-2-phenylpropyl]-7-(3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[(2S)-2-phenylpropyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-[(2S)-2-phenylpropyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C23H25N2O2+ MolecularWeight: 361.4568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCOC2=C(C1)C=C(C=C2O)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C[NH+]1CCOC2=C(C1)C=C(C=C2O)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O2/c1-17(18-6-3-2-4-7-18)15-25-10-11-27-23-21(16-25)12-20(13-22(23)26)19-8-5-9-24-14-19/h2-9,12-14,17,26H,10-11,15-16H2,1H3/p+1/t17-/m1/s1