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

Systemtic Name: (2,6-dimethylpyrimidin-4-yl)-methyl-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-(phenylmethyl)azanium Openeye Name: benzyl-(2,6-dimethylpyrimidin-4-yl)-methyl-[2-oxo-2-(1-piperidyl)ethyl]ammonium CAS Name: (2,6-dimethyl-4-pyrimidinyl)-methyl-[2-oxo-2-(1-piperidinyl)ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(2,6-dimethylpyrimidin-4-yl)-methyl-(2-oxo-2-piperidin-1-ylethyl)azanium Traditional Name: benzyl-(2,6-dimethylpyrimidin-4-yl)-(2-keto-2-piperidino-ethyl)-methyl-ammonium Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N4O/c1-17-14-20(23-18(2)22-17)25(3,15-19-10-6-4-7-11-19)16-21(26)24-12-8-5-9-13-24/h4,6-7,10-11,14H,5,8-9,12-13,15-16H2,1-3H3/q+1