4-[6-(dimethylamino)-4-methyl-pyrimidin-1-ium-2-yl]-N-(3-fluorophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[6-(dimethylamino)-4-methyl-pyrimidin-1-ium-2-yl]-N-(3-fluorophenyl)piperazine-1-carboxamide Openeye Name: 4-[6-(dimethylamino)-4-methyl-pyrimidin-1-ium-2-yl]-N-(3-fluorophenyl)piperazine-1-carboxamide CAS Name: 4-[6-(dimethylamino)-4-methyl-2-pyrimidin-1-iumyl]-N-(3-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[6-(dimethylamino)-4-methylpyrimidin-1-ium-2-yl]-N-(3-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-[6-(dimethylamino)-4-methyl-pyrimidin-1-ium-2-yl]-N-(3-fluorophenyl)piperazine-1-carboxamide Formula: C18H24FN6O+ MolecularWeight: 359.421163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)N2CCN(CC2)C(=O)NC3=CC(=CC=C3)F)N(C)C

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)N2CCN(CC2)C(=O)NC3=CC(=CC=C3)F)N(C)C

InChI

InChI=1S/C18H23FN6O/c1-13-11-16(23(2)3)22-17(20-13)24-7-9-25(10-8-24)18(26)21-15-6-4-5-14(19)12-15/h4-6,11-12H,7-10H2,1-3H3,(H,21,26)/p+1