2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(4-pyridylmethyl)acetamide CAS Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(4-pyridylmethyl)acetamide Formula: C19H24N3O3+ MolecularWeight: 342.41216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=C(O1)C=C(C=C2)OC)CC(=O)NCC3=CC=NC=C3

Isomeric SMILES

C[C@H]1C[NH+](CC2=C(O1)C=C(C=C2)OC)CC(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C19H23N3O3/c1-14-11-22(12-16-3-4-17(24-2)9-18(16)25-14)13-19(23)21-10-15-5-7-20-8-6-15/h3-9,14H,10-13H2,1-2H3,(H,21,23)/p+1/t14-/m0/s1