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

Systemtic Name: (2,6-dimethylpyrimidin-4-yl)-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-(phenylmethyl)azanium Openeye Name: benzyl-(2,6-dimethylpyrimidin-4-yl)-[2-oxo-2-(1-piperidyl)ethyl]ammonium CAS Name: (2,6-dimethyl-4-pyrimidinyl)-[2-oxo-2-(1-piperidinyl)ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(2,6-dimethylpyrimidin-4-yl)-(2-oxo-2-piperidin-1-ylethyl)azanium Traditional Name: benzyl-(2,6-dimethylpyrimidin-4-yl)-(2-keto-2-piperidino-ethyl)ammonium Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O/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/p+1