6-(4-fluoranyl-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile

Systemtic Name: 6-(4-fluoranyl-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile Openeye Name: 6-(4-fluoro-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile CAS Name: 6-(4-fluoro-3-methylphenyl)-2-(1-piperazin-4-iumyl)-4-pyrimidinecarbonitrile IUPAC Name: 6-(4-fluoro-3-methylphenyl)-2-piperazin-4-ium-1-ylpyrimidine-4-carbonitrile Traditional Name: 6-(4-fluoro-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile Formula: C16H17FN5+ MolecularWeight: 298.338083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC(=NC(=C2)C#N)N3CC[NH2+]CC3)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC(=NC(=C2)C#N)N3CC[NH2+]CC3)F

InChI

InChI=1S/C16H16FN5/c1-11-8-12(2-3-14(11)17)15-9-13(10-18)20-16(21-15)22-6-4-19-5-7-22/h2-3,8-9,19H,4-7H2,1H3/p+1