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

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

CC1CCCC[N+]1=C(N)NC2=NC(=CC(=N2)C)C

Isomeric SMILES

C[C@H]1CCCC[N+]1=C(N)NC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C13H21N5/c1-9-8-10(2)16-13(15-9)17-12(14)18-7-5-4-6-11(18)3/h8,11H,4-7H2,1-3H3,(H2,14,15,16,17)/p+1/t11-/m0/s1