[2-(diethylamino)-2-oxidanylidene-ethyl]-(2,6-dimethylpyrimidin-4-yl)-methyl-(phenylmethyl)azanium

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl]-(2,6-dimethylpyrimidin-4-yl)-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-(diethylamino)-2-oxo-ethyl]-(2,6-dimethylpyrimidin-4-yl)-methyl-ammonium CAS Name: [2-(diethylamino)-2-oxoethyl]-(2,6-dimethyl-4-pyrimidinyl)-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(diethylamino)-2-oxoethyl]-(2,6-dimethylpyrimidin-4-yl)-methylazanium Traditional Name: benzyl-[2-(diethylamino)-2-keto-ethyl]-(2,6-dimethylpyrimidin-4-yl)-methyl-ammonium Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[N+](C)(CC1=CC=CC=C1)C2=NC(=NC(=C2)C)C

Isomeric SMILES

CCN(CC)C(=O)C[N+](C)(CC1=CC=CC=C1)C2=NC(=NC(=C2)C)C

InChI

InChI=1S/C20H29N4O/c1-6-23(7-2)20(25)15-24(5,14-18-11-9-8-10-12-18)19-13-16(3)21-17(4)22-19/h8-13H,6-7,14-15H2,1-5H3/q+1