2-(3-fluorophenyl)-4-methyl-5-(phenylmethyl)-6-piperazin-4-ium-1-yl-pyrimidine

Systemtic Name: 2-(3-fluorophenyl)-4-methyl-5-(phenylmethyl)-6-piperazin-4-ium-1-yl-pyrimidine Openeye Name: 5-benzyl-2-(3-fluorophenyl)-4-methyl-6-piperazin-4-ium-1-yl-pyrimidine CAS Name: 2-(3-fluorophenyl)-4-methyl-5-(phenylmethyl)-6-(1-piperazin-4-iumyl)pyrimidine IUPAC Name: 5-benzyl-2-(3-fluorophenyl)-4-methyl-6-piperazin-4-ium-1-ylpyrimidine Traditional Name: 5-benzyl-2-(3-fluorophenyl)-4-methyl-6-piperazin-4-ium-1-yl-pyrimidine Formula: C22H24FN4+ MolecularWeight: 363.451163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC(=CC=C2)F)N3CC[NH2+]CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC(=CC=C2)F)N3CC[NH2+]CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23FN4/c1-16-20(14-17-6-3-2-4-7-17)22(27-12-10-24-11-13-27)26-21(25-16)18-8-5-9-19(23)15-18/h2-9,15,24H,10-14H2,1H3/p+1