2-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-4,6-dimethyl-pyrimidine

Systemtic Name: 2-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-4,6-dimethyl-pyrimidine CAS Name: 2-[2-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-1-pyrrolyl]-4,6-dimethylpyrimidine IUPAC Name: 2-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-4,6-dimethylpyrimidine Traditional Name: 2-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-4,6-dimethyl-pyrimidine Formula: C21H25FN5+ MolecularWeight: 366.455103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CC=C2C[NH+]3CCN(CC3)C4=CC=CC=C4F)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CC=C2C[NH+]3CCN(CC3)C4=CC=CC=C4F)C

InChI

InChI=1S/C21H24FN5/c1-16-14-17(2)24-21(23-16)27-9-5-6-18(27)15-25-10-12-26(13-11-25)20-8-4-3-7-19(20)22/h3-9,14H,10-13,15H2,1-2H3/p+1