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

Systemtic Name: dimethyl-[(2R)-2-oxidanyl-2-[4-(3-phenoxypropanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propyl]azanium Openeye Name: [(2R)-2-hydroxy-2-[4-(3-phenoxypropanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propyl]-dimethyl-ammonium CAS Name: [(2R)-2-hydroxy-2-[4-(1-oxo-3-phenoxypropyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propyl]-dimethylammonium IUPAC Name: [(2R)-2-hydroxy-2-[4-(3-phenoxypropanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propyl]-dimethylazanium Traditional Name: [(2R)-2-hydroxy-2-[4-(3-phenoxypropanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propyl]-dimethyl-ammonium Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+](C)C)(C1=CC2=C(C=C1)OCCN(C2)C(=O)CCOC3=CC=CC=C3)O

Isomeric SMILES

C[C@](C[NH+](C)C)(C1=CC2=C(C=C1)OCCN(C2)C(=O)CCOC3=CC=CC=C3)O

InChI

InChI=1S/C23H30N2O4/c1-23(27,17-24(2)3)19-9-10-21-18(15-19)16-25(12-14-29-21)22(26)11-13-28-20-7-5-4-6-8-20/h4-10,15,27H,11-14,16-17H2,1-3H3/p+1/t23-/m0/s1