3-[(2S)-7-chloranyl-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N,N-diethyl-propanamide

Systemtic Name: 3-[(2S)-7-chloranyl-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N,N-diethyl-propanamide Openeye Name: 3-[(2S)-7-chloro-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N,N-diethyl-propanamide CAS Name: 3-[(2S)-7-chloro-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N,N-diethylpropanamide IUPAC Name: 3-[(2S)-7-chloro-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N,N-diethylpropanamide Traditional Name: 3-[(2S)-7-chloro-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N,N-diethyl-propionamide Formula: C17H26ClN2O2+ MolecularWeight: 325.85354

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CC[NH+]1CC(OC2=C(C1)C=C(C=C2)Cl)C

Isomeric SMILES

CCN(CC)C(=O)CC[NH+]1C[C@@H](OC2=C(C1)C=C(C=C2)Cl)C

InChI

InChI=1S/C17H25ClN2O2/c1-4-20(5-2)17(21)8-9-19-11-13(3)22-16-7-6-15(18)10-14(16)12-19/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3/p+1/t13-/m0/s1