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

Systemtic Name: [4-[(3-cyanophenyl)carbonylamino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium chloride Openeye Name: [4-[(3-cyanobenzoyl)amino]phenyl]methyl-dimethyl-tetrahydropyran-4-yl-ammonium chloride CAS Name: [4-[[(3-cyanophenyl)-oxomethyl]amino]phenyl]methyl-dimethyl-(4-oxanyl)ammonium chloride IUPAC Name: [4-[(3-cyanobenzoyl)amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium chloride Traditional Name: [4-[(3-cyanobenzoyl)amino]benzyl]-dimethyl-tetrahydropyran-4-yl-ammonium chloride Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2.ClH/c1-25(2,21-10-12-27-13-11-21)16-17-6-8-20(9-7-17)24-22(26)19-5-3-4-18(14-19)15-23;/h3-9,14,21H,10-13,16H2,1-2H3;1H