(3S)-1-[azanyl-[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]piperidin-1-ium-3-carbohydrazide

Systemtic Name: (3S)-1-[azanyl-[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]piperidin-1-ium-3-carbohydrazide Openeye Name: (3S)-1-[amino-[(4,6-dimethylpyrimidin-2-yl)amino]methylene]piperidin-1-ium-3-carbohydrazide CAS Name: (3S)-1-[amino-[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene]-3-piperidin-1-iumcarbohydrazide IUPAC Name: (3S)-1-[amino-[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]piperidin-1-ium-3-carbohydrazide Traditional Name: (3S)-1-[amino-[(4,6-dimethylpyrimidin-2-yl)amino]methylene]piperidin-1-ium-3-carbohydrazide Formula: C13H22N7O+ MolecularWeight: 292.36008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=[N+]2CCCC(C2)C(=O)NN)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=[N+]2CCC[C@@H](C2)C(=O)NN)N)C

InChI

InChI=1S/C13H21N7O/c1-8-6-9(2)17-13(16-8)18-12(14)20-5-3-4-10(7-20)11(21)19-15/h6,10H,3-5,7,15H2,1-2H3,(H3,14,16,17,18,19,21)/p+1/t10-/m0/s1