N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CN2C(=O)CCOC3=CC=CC=C32)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CN2C(=O)CCOC3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C21H25N3O4/c25-20(15-24-16-6-1-2-7-18(16)28-13-9-21(24)26)22-14-17(19-8-5-12-27-19)23-10-3-4-11-23/h1-2,5-8,12,17H,3-4,9-11,13-15H2,(H,22,25)/p+1/t17-/m0/s1