N5-[(1S,2R,3S)-2,3-dimethylcyclohexyl]pyridin-1-ium-2,5-diamine

Systemtic Name: N5-[(1S,2R,3S)-2,3-dimethylcyclohexyl]pyridin-1-ium-2,5-diamine Openeye Name: N5-[(1S,2R,3S)-2,3-dimethylcyclohexyl]pyridin-1-ium-2,5-diamine CAS Name: N5-[(1S,2R,3S)-2,3-dimethylcyclohexyl]pyridin-1-ium-2,5-diamine IUPAC Name: 5-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]pyridin-1-ium-2,5-diamine Traditional Name: (6-aminopyridin-1-ium-3-yl)-[(1S,2R,3S)-2,3-dimethylcyclohexyl]amine Formula: C13H22N3+ MolecularWeight: 220.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC2=C[NH+]=C(C=C2)N

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)NC2=C[NH+]=C(C=C2)N

InChI

InChI=1S/C13H21N3/c1-9-4-3-5-12(10(9)2)16-11-6-7-13(14)15-8-11/h6-10,12,16H,3-5H2,1-2H3,(H2,14,15)/p+1/t9-,10+,12-/m0/s1