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

Systemtic Name: 4-[6-(ethylamino)-4-methyl-pyrimidin-1-ium-2-yl]-N-(4-methylphenyl)piperazine-1-carboxamide Openeye Name: 4-[6-(ethylamino)-4-methyl-pyrimidin-1-ium-2-yl]-N-(p-tolyl)piperazine-1-carboxamide CAS Name: 4-[6-(ethylamino)-4-methyl-2-pyrimidin-1-iumyl]-N-(4-methylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[6-(ethylamino)-4-methylpyrimidin-1-ium-2-yl]-N-(4-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-[6-(ethylamino)-4-methyl-pyrimidin-1-ium-2-yl]-N-(p-tolyl)piperazine-1-carboxamide Formula: C19H27N6O+ MolecularWeight: 355.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=[NH+]C(=NC(=C1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)C

Isomeric SMILES

CCNC1=[NH+]C(=NC(=C1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C19H26N6O/c1-4-20-17-13-15(3)21-18(23-17)24-9-11-25(12-10-24)19(26)22-16-7-5-14(2)6-8-16/h5-8,13H,4,9-12H2,1-3H3,(H,22,26)(H,20,21,23)/p+1