4-[[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-2-methoxy-phenol

Systemtic Name: 4-[[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-2-methoxy-phenol Openeye Name: 4-[[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-2-methoxy-phenol CAS Name: 4-[[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-2-methoxyphenol IUPAC Name: 4-[[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-2-methoxyphenol Traditional Name: 4-[[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-2-methoxy-phenol Formula: C20H26NO4+ MolecularWeight: 344.42474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC3=CC(=C(C=C3)O)OC

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C20H25NO4/c1-4-16-13-21(11-14-5-7-18(22)20(9-14)24-3)12-15-10-17(23-2)6-8-19(15)25-16/h5-10,16,22H,4,11-13H2,1-3H3/p+1/t16-/m0/s1