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

Systemtic Name: dimethyl-[(2R)-2-oxidanyl-2-[4-(4-pyrazol-1-ylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propyl]azanium Openeye Name: [(2R)-2-hydroxy-2-[4-(4-pyrazol-1-ylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propyl]-dimethyl-ammonium CAS Name: [(2R)-2-hydroxy-2-[4-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propyl]-dimethylammonium IUPAC Name: [(2R)-2-hydroxy-2-[4-(4-pyrazol-1-ylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propyl]-dimethylazanium Traditional Name: [(2R)-2-hydroxy-2-[4-(4-pyrazol-1-ylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propyl]-dimethyl-ammonium Formula: C24H29N4O3+ MolecularWeight: 421.51206

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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)N4C=CC=N4)O

Isomeric SMILES

C[C@](C[NH+](C)C)(C1=CC2=C(C=C1)OCCN(C2)C(=O)C3=CC=C(C=C3)N4C=CC=N4)O

InChI

InChI=1S/C24H28N4O3/c1-24(30,17-26(2)3)20-7-10-22-19(15-20)16-27(13-14-31-22)23(29)18-5-8-21(9-6-18)28-12-4-11-25-28/h4-12,15,30H,13-14,16-17H2,1-3H3/p+1/t24-/m0/s1