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

Systemtic Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-pyridin-3-yloxypropyl)ethanamide Openeye Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[3-(3-pyridyloxy)propyl]acetamide CAS Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[3-(3-pyridinyloxy)propyl]acetamide IUPAC Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-pyridin-3-yloxypropyl)acetamide Traditional Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[3-(3-pyridyloxy)propyl]acetamide Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=C(O1)C=C(C=C2)OC)CC(=O)NCCCOC3=CN=CC=C3

Isomeric SMILES

C[C@H]1C[NH+](CC2=C(O1)C=C(C=C2)OC)CC(=O)NCCCOC3=CN=CC=C3

InChI

InChI=1S/C21H27N3O4/c1-16-13-24(14-17-6-7-18(26-2)11-20(17)28-16)15-21(25)23-9-4-10-27-19-5-3-8-22-12-19/h3,5-8,11-12,16H,4,9-10,13-15H2,1-2H3,(H,23,25)/p+1/t16-/m0/s1