[4-[(3-bromophenyl)carbonylamino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium chloride

Systemtic Name: [4-[(3-bromophenyl)carbonylamino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium chloride Openeye Name: [4-[(3-bromobenzoyl)amino]phenyl]methyl-dimethyl-tetrahydropyran-4-yl-ammonium chloride CAS Name: [4-[[(3-bromophenyl)-oxomethyl]amino]phenyl]methyl-dimethyl-(4-oxanyl)ammonium chloride IUPAC Name: [4-[(3-bromobenzoyl)amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium chloride Traditional Name: [4-[(3-bromobenzoyl)amino]benzyl]-dimethyl-tetrahydropyran-4-yl-ammonium chloride Formula: C21H26BrClN2O2 MolecularWeight: 453.80034

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)Br)C3CCOCC3.[Cl-]

Isomeric SMILES

C[N+](C)(CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)Br)C3CCOCC3.[Cl-]

InChI

InChI=1S/C21H25BrN2O2.ClH/c1-24(2,20-10-12-26-13-11-20)15-16-6-8-19(9-7-16)23-21(25)17-4-3-5-18(22)14-17;/h3-9,14,20H,10-13,15H2,1-2H3;1H