N-[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-pyridin-3-yl-ethanamide

Systemtic Name: N-[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-pyridin-3-yl-ethanamide Openeye Name: N-[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-(3-pyridyl)acetamide CAS Name: N-[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-(3-pyridinyl)acetamide IUPAC Name: N-[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-pyridin-3-ylacetamide Traditional Name: N-[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-(3-pyridyl)acetamide Formula: C24H26N3O2+ MolecularWeight: 388.48214

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2C[NH+]1CCNC(=O)CC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2C[NH+]1CCNC(=O)CC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2/c28-24(15-19-7-6-12-25-16-19)26-13-14-27-17-21-10-4-5-11-22(21)29-23(18-27)20-8-2-1-3-9-20/h1-12,16,23H,13-15,17-18H2,(H,26,28)/p+1/t23-/m1/s1