7-(dimethylcarbamoyloxy)-6-naphthalen-1-yl-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-3-carboxylic acid

Systemtic Name: 7-(dimethylcarbamoyloxy)-6-naphthalen-1-yl-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-3-carboxylic acid Openeye Name: 7-(dimethylcarbamoyloxy)-6-(1-naphthyl)-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-3-carboxylic acid CAS Name: 7-[dimethylamino(oxo)methoxy]-6-(1-naphthalenyl)-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-3-carboxylic acid IUPAC Name: 7-(dimethylcarbamoyloxy)-6-naphthalen-1-yl-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-3-carboxylic acid Traditional Name: 7-(dimethylcarbamoyloxy)-6-(1-naphthyl)-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-3-carboxylic acid Formula: C26H21N2O5+ MolecularWeight: 441.45534

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=C(OC2=C(C=CC(=C2)C(=O)O)[N+]3=C1CC=C3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN(C)C(=O)OC1=C(OC2=C(C=CC(=C2)C(=O)O)[N+]3=C1CC=C3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H20N2O5/c1-27(2)26(31)33-24-21-11-6-14-28(21)20-13-12-17(25(29)30)15-22(20)32-23(24)19-10-5-8-16-7-3-4-9-18(16)19/h3-10,12-15H,11H2,1-2H3/p+1