N4-[(1S,2R,3S)-2,3-dimethylcyclohexyl]pyridin-1-ium-3,4-diamine

Systemtic Name: N4-[(1S,2R,3S)-2,3-dimethylcyclohexyl]pyridin-1-ium-3,4-diamine Openeye Name: N4-[(1S,2R,3S)-2,3-dimethylcyclohexyl]pyridin-1-ium-3,4-diamine CAS Name: N4-[(1S,2R,3S)-2,3-dimethylcyclohexyl]pyridin-1-ium-3,4-diamine IUPAC Name: 4-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]pyridin-1-ium-3,4-diamine Traditional Name: (3-aminopyridin-1-ium-4-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(C=[NH+]C=C2)N

Isomeric SMILES

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

InChI

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