1-benzofuran-2-yl-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: 1-benzofuran-2-yl-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: benzofuran-2-yl-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: 2-benzofuranyl-[7-(4-morpholin-4-iumylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: 1-benzofuran-2-yl-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: benzofuran-2-yl-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C23H25N2O4+ MolecularWeight: 393.4556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1COCC[NH+]1CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C23H24N2O4/c26-23(22-14-18-3-1-2-4-21(18)29-22)25-9-12-28-20-6-5-17(13-19(20)16-25)15-24-7-10-27-11-8-24/h1-6,13-14H,7-12,15-16H2/p+1