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

Systemtic Name: dimethyl-[(2R)-2-oxidanyl-2-[4-(4-thiophen-2-ylbutanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propyl]azanium Openeye Name: [(2R)-2-hydroxy-2-[4-[4-(2-thienyl)butanoyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propyl]-dimethyl-ammonium CAS Name: [(2R)-2-hydroxy-2-[4-(1-oxo-4-thiophen-2-ylbutyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propyl]-dimethylammonium IUPAC Name: [(2R)-2-hydroxy-2-[4-(4-thiophen-2-ylbutanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propyl]-dimethylazanium Traditional Name: [(2R)-2-hydroxy-2-[4-[4-(2-thienyl)butanoyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propyl]-dimethyl-ammonium Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+](C)C)(C1=CC2=C(C=C1)OCCN(C2)C(=O)CCCC3=CC=CS3)O

Isomeric SMILES

C[C@](C[NH+](C)C)(C1=CC2=C(C=C1)OCCN(C2)C(=O)CCCC3=CC=CS3)O

InChI

InChI=1S/C22H30N2O3S/c1-22(26,16-23(2)3)18-9-10-20-17(14-18)15-24(11-12-27-20)21(25)8-4-6-19-7-5-13-28-19/h5,7,9-10,13-14,26H,4,6,8,11-12,15-16H2,1-3H3/p+1/t22-/m0/s1