N'-(4,6-dimethylpyrimidin-2-yl)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-ylidene]methanediamine

Systemtic Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-ylidene]methanediamine Openeye Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-ylidene]methanediamine CAS Name: N'-(4,6-dimethyl-2-pyrimidinyl)-1-[4-(4-fluorophenyl)-1-piperazin-1-iumylidene]methanediamine IUPAC Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-ylidene]methanediamine Traditional Name: [amino-[4-(4-fluorophenyl)piperazin-1-ium-1-ylidene]methyl]-(4,6-dimethylpyrimidin-2-yl)amine Formula: C17H22FN6+ MolecularWeight: 329.395183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=[N+]2CCN(CC2)C3=CC=C(C=C3)F)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=[N+]2CCN(CC2)C3=CC=C(C=C3)F)N)C

InChI

InChI=1S/C17H21FN6/c1-12-11-13(2)21-17(20-12)22-16(19)24-9-7-23(8-10-24)15-5-3-14(18)4-6-15/h3-6,11H,7-10H2,1-2H3,(H2,19,20,21,22)/p+1