N'-(4,6-dimethylpyrimidin-2-yl)-1-(4-ethylpiperazin-1-ium-1-ylidene)methanediamine

Systemtic Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-(4-ethylpiperazin-1-ium-1-ylidene)methanediamine Openeye Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-(4-ethylpiperazin-1-ium-1-ylidene)methanediamine CAS Name: N'-(4,6-dimethyl-2-pyrimidinyl)-1-(4-ethyl-1-piperazin-1-iumylidene)methanediamine IUPAC Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-(4-ethylpiperazin-1-ium-1-ylidene)methanediamine Traditional Name: [amino-(4-ethylpiperazin-1-ium-1-ylidene)methyl]-(4,6-dimethylpyrimidin-2-yl)amine Formula: C13H23N6+ MolecularWeight: 263.36192

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[N+](=C(N)NC2=NC(=CC(=N2)C)C)CC1

Isomeric SMILES

CCN1CC[N+](=C(N)NC2=NC(=CC(=N2)C)C)CC1

InChI

InChI=1S/C13H22N6/c1-4-18-5-7-19(8-6-18)12(14)17-13-15-10(2)9-11(3)16-13/h9H,4-8H2,1-3H3,(H2,14,15,16,17)/p+1