(2S)-2-methoxy-1-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-phenyl-ethanone

Systemtic Name: (2S)-2-methoxy-1-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-phenyl-ethanone Openeye Name: (2S)-2-methoxy-1-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-phenyl-ethanone CAS Name: (2S)-2-methoxy-1-[7-(4-morpholin-4-iumylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-phenylethanone IUPAC Name: (2S)-2-methoxy-1-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-phenylethanone Traditional Name: (2S)-2-methoxy-1-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-phenyl-ethanone Formula: C23H29N2O4+ MolecularWeight: 397.48736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

CO[C@@H](C1=CC=CC=C1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C23H28N2O4/c1-27-22(19-5-3-2-4-6-19)23(26)25-11-14-29-21-8-7-18(15-20(21)17-25)16-24-9-12-28-13-10-24/h2-8,15,22H,9-14,16-17H2,1H3/p+1/t22-/m0/s1