(2,6-dimethylpyrimidin-4-yl)-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-(phenylmethyl)azanium chloride

Systemtic Name: (2,6-dimethylpyrimidin-4-yl)-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-(2,6-dimethylpyrimidin-4-yl)-[2-oxo-2-(1-piperidyl)ethyl]ammonium chloride CAS Name: (2,6-dimethyl-4-pyrimidinyl)-[2-oxo-2-(1-piperidinyl)ethyl]-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(2,6-dimethylpyrimidin-4-yl)-(2-oxo-2-piperidin-1-ylethyl)azanium chloride Traditional Name: benzyl-(2,6-dimethylpyrimidin-4-yl)-(2-keto-2-piperidino-ethyl)ammonium chloride Formula: C20H27ClN4O MolecularWeight: 374.90758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)[NH+](CC2=CC=CC=C2)CC(=O)N3CCCCC3.[Cl-]

Isomeric SMILES

CC1=CC(=NC(=N1)C)[NH+](CC2=CC=CC=C2)CC(=O)N3CCCCC3.[Cl-]

InChI

InChI=1S/C20H26N4O.ClH/c1-16-13-19(22-17(2)21-16)24(14-18-9-5-3-6-10-18)15-20(25)23-11-7-4-8-12-23;/h3,5-6,9-10,13H,4,7-8,11-12,14-15H2,1-2H3;1H