[(2S)-2-[4-(4-methoxyphenyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-oxidanyl-propyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[4-(4-methoxyphenyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-oxidanyl-propyl]-dimethyl-azanium Openeye Name: [(2S)-2-hydroxy-2-[4-(4-methoxybenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propyl]-dimethyl-ammonium CAS Name: [(2S)-2-hydroxy-2-[4-[(4-methoxyphenyl)-oxomethyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propyl]-dimethylammonium IUPAC Name: [(2S)-2-hydroxy-2-[4-(4-methoxybenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propyl]-dimethylazanium Traditional Name: [(2S)-2-hydroxy-2-(4-p-anisoyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)propyl]-dimethyl-ammonium Formula: C22H29N2O4+ MolecularWeight: 385.47666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+](C)C)(C1=CC2=C(C=C1)OCCN(C2)C(=O)C3=CC=C(C=C3)OC)O

Isomeric SMILES

C[C@@](C[NH+](C)C)(C1=CC2=C(C=C1)OCCN(C2)C(=O)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C22H28N2O4/c1-22(26,15-23(2)3)18-7-10-20-17(13-18)14-24(11-12-28-20)21(25)16-5-8-19(27-4)9-6-16/h5-10,13,26H,11-12,14-15H2,1-4H3/p+1/t22-/m1/s1