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

Systemtic Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperidin-1-ium-1-ylidene)methanediamine Openeye Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperidin-1-ium-1-ylidene)methanediamine CAS Name: N'-(4,6-dimethyl-2-pyrimidinyl)-1-(4-methyl-1-piperidin-1-iumylidene)methanediamine IUPAC Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperidin-1-ium-1-ylidene)methanediamine Traditional Name: [amino-(4-methylpiperidin-1-ium-1-ylidene)methyl]-(4,6-dimethylpyrimidin-2-yl)amine Formula: C13H22N5+ MolecularWeight: 248.34728

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[N+](=C(N)NC2=NC(=CC(=N2)C)C)CC1

Isomeric SMILES

CC1CC[N+](=C(N)NC2=NC(=CC(=N2)C)C)CC1

InChI

InChI=1S/C13H21N5/c1-9-4-6-18(7-5-9)12(14)17-13-15-10(2)8-11(3)16-13/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17)/p+1