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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethanamide Openeye Name: N-(3-imidazol-1-ylpropyl)-2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]acetamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]acetamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]acetamide Traditional Name: N-(3-imidazol-1-ylpropyl)-2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]acetamide Formula: C19H27N4O3+ MolecularWeight: 359.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=C(O1)C=C(C=C2)OC)CC(=O)NCCCN3C=CN=C3

Isomeric SMILES

C[C@H]1C[NH+](CC2=C(O1)C=C(C=C2)OC)CC(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C19H26N4O3/c1-15-11-23(12-16-4-5-17(25-2)10-18(16)26-15)13-19(24)21-6-3-8-22-9-7-20-14-22/h4-5,7,9-10,14-15H,3,6,8,11-13H2,1-2H3,(H,21,24)/p+1/t15-/m0/s1