N4-(3,4-dimethoxyphenyl)-5-fluoranyl-N2-[1-(phenylmethyl)piperidin-1-ium-1-yl]pyrimidine-2,4-diamine

Systemtic Name: N4-(3,4-dimethoxyphenyl)-5-fluoranyl-N2-[1-(phenylmethyl)piperidin-1-ium-1-yl]pyrimidine-2,4-diamine Openeye Name: N2-(1-benzylpiperidin-1-ium-1-yl)-N4-(3,4-dimethoxyphenyl)-5-fluoro-pyrimidine-2,4-diamine CAS Name: N4-(3,4-dimethoxyphenyl)-5-fluoro-N2-[1-(phenylmethyl)-1-piperidin-1-iumyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-(1-benzylpiperidin-1-ium-1-yl)-4-N-(3,4-dimethoxyphenyl)-5-fluoropyrimidine-2,4-diamine Traditional Name: (1-benzylpiperidin-1-ium-1-yl)-[4-(3,4-dimethoxyanilino)-5-fluoro-pyrimidin-2-yl]amine Formula: C24H29FN5O2+ MolecularWeight: 438.517763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC=C2F)N[N+]3(CCCCC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC=C2F)N[N+]3(CCCCC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C24H29FN5O2/c1-31-21-12-11-19(15-22(21)32-2)27-23-20(25)16-26-24(28-23)29-30(13-7-4-8-14-30)17-18-9-5-3-6-10-18/h3,5-6,9-12,15-16H,4,7-8,13-14,17H2,1-2H3,(H2,26,27,28,29)/q+1