ethyl 2-(2-ethoxy-2-oxidanylidene-ethylidene)-5,5-dimethyl-3-(2,2,7-trimethyl-1,3-dihydro-3-benzazepin-3-ium-4-yl)pyrrolidine-3-carboxylate

Systemtic Name: ethyl 2-(2-ethoxy-2-oxidanylidene-ethylidene)-5,5-dimethyl-3-(2,2,7-trimethyl-1,3-dihydro-3-benzazepin-3-ium-4-yl)pyrrolidine-3-carboxylate Openeye Name: ethyl 2-(2-ethoxy-2-oxo-ethylidene)-5,5-dimethyl-3-(2,2,7-trimethyl-1,3-dihydro-3-benzazepin-3-ium-4-yl)pyrrolidine-3-carboxylate CAS Name: 2-(2-ethoxy-2-oxoethylidene)-5,5-dimethyl-3-(2,2,7-trimethyl-1,3-dihydro-3-benzazepin-3-ium-4-yl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-ethoxy-2-oxoethylidene)-5,5-dimethyl-3-(2,2,7-trimethyl-1,3-dihydro-3-benzazepin-3-ium-4-yl)pyrrolidine-3-carboxylate Traditional Name: 2-(2-ethoxy-2-keto-ethylidene)-5,5-dimethyl-3-(2,2,7-trimethyl-1,3-dihydro-3-benzazepin-3-ium-4-yl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C26H37N2O4+ MolecularWeight: 441.58298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C1C(CC(N1)(C)C)(C2=CC3=C(CC([NH2+]2)(C)C)C=CC(=C3)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C=C1C(CC(N1)(C)C)(C2=CC3=C(CC([NH2+]2)(C)C)C=CC(=C3)C)C(=O)OCC

InChI

InChI=1S/C26H36N2O4/c1-8-31-22(29)14-21-26(23(30)32-9-2,16-25(6,7)28-21)20-13-19-12-17(3)10-11-18(19)15-24(4,5)27-20/h10-14,27-28H,8-9,15-16H2,1-7H3/p+1