N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-5-methyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-5-methyl-pyridin-1-ium-2-amine Openeye Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-5-methyl-pyridin-1-ium-2-amine CAS Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-5-methyl-2-pyridin-1-iumamine IUPAC Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-5-methylpyridin-1-ium-2-amine Traditional Name: [(1S,2R,3S)-2,3-dimethylcyclohexyl]-(5-methylpyridin-1-ium-2-yl)amine Formula: C14H23N2+ MolecularWeight: 219.34582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2/c1-10-7-8-14(15-9-10)16-13-6-4-5-11(2)12(13)3/h7-9,11-13H,4-6H2,1-3H3,(H,15,16)/p+1/t11-,12+,13-/m0/s1