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

Systemtic Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-pyridin-4-ylpropyl)ethanamide Openeye Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[3-(4-pyridyl)propyl]acetamide CAS Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-pyridin-4-ylpropyl)acetamide IUPAC Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-pyridin-4-ylpropyl)acetamide Traditional Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[3-(4-pyridyl)propyl]acetamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=C(O1)C=C(C=C2)OC)CC(=O)NCCCC3=CC=NC=C3

Isomeric SMILES

C[C@H]1C[NH+](CC2=C(O1)C=C(C=C2)OC)CC(=O)NCCCC3=CC=NC=C3

InChI

InChI=1S/C21H27N3O3/c1-16-13-24(14-18-5-6-19(26-2)12-20(18)27-16)15-21(25)23-9-3-4-17-7-10-22-11-8-17/h5-8,10-12,16H,3-4,9,13-15H2,1-2H3,(H,23,25)/p+1/t16-/m0/s1