2-(6,11-dihydrobenzo[c][1,5]benzoxazepin-6-yl)ethyl-dimethyl-azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 2-(6,11-dihydrobenzo[c][1,5]benzoxazepin-6-yl)ethyl-dimethyl-azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 2-(6,11-dihydrobenzo[c][1,5]benzoxazepin-6-yl)ethyl-dimethyl-ammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 2-(6,11-dihydrobenzo[c][1,5]benzoxazepin-6-yl)ethyl-dimethylammonium; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 2-(6,11-dihydrobenzo[c][1,5]benzoxazepin-6-yl)ethyl-dimethylazanium; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 2-(6,11-dihydrobenzo[c][1,5]benzoxazepin-6-yl)ethyl-dimethyl-ammonium; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC1C2=CC=CC=C2NC3=CC=CC=C3O1.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[NH+](C)CCC1C2=CC=CC=C2NC3=CC=CC=C3O1.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C17H20N2O.C4H4O4/c1-19(2)12-11-16-13-7-3-4-8-14(13)18-15-9-5-6-10-17(15)20-16;5-3(6)1-2-4(7)8/h3-10,16,18H,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+