2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-pyridin-3-ylpropyl)ethanamide

Systemtic Name: 2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-pyridin-3-ylpropyl)ethanamide Openeye Name: 2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[3-(3-pyridyl)propyl]acetamide CAS Name: 2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[3-(3-pyridinyl)propyl]acetamide IUPAC Name: 2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-pyridin-3-ylpropyl)acetamide Traditional Name: 2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[3-(3-pyridyl)propyl]acetamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC(=O)NCCCC3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-3-19-15-25(14-18-12-20(27-2)8-9-21(18)28-19)16-22(26)24-11-5-7-17-6-4-10-23-13-17/h4,6,8-10,12-13,19H,3,5,7,11,14-16H2,1-2H3,(H,24,26)/p+1/t19-/m0/s1