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

Systemtic Name: 2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide CAS Name: 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)CN2C(=O)CCOC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)CN2C(=O)CCOC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3/c26-21(16-25-19-8-4-5-9-20(19)28-13-11-22(25)27)23-18-10-12-24(15-18)14-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,26)/p+1/t18-/m0/s1