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

Systemtic Name: N-[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-(4-pyridylthio)acetamide Formula: C24H26N3O2S+ MolecularWeight: 420.54714

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2C[NH+]1CCNC(=O)CSC3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2C[NH+]1CCNC(=O)CSC3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2S/c28-24(18-30-21-10-12-25-13-11-21)26-14-15-27-16-20-8-4-5-9-22(20)29-23(17-27)19-6-2-1-3-7-19/h1-13,23H,14-18H2,(H,26,28)/p+1/t23-/m1/s1