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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=[NH+]C(=NC(=C1)C)N2CCN(CC2)C(=O)NC3=CC=CC=C3F

Isomeric SMILES

CCNC1=[NH+]C(=NC(=C1)C)N2CCN(CC2)C(=O)NC3=CC=CC=C3F

InChI

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