4-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxypyridin-1-ium-3-amine

Systemtic Name: 4-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxypyridin-1-ium-3-amine Openeye Name: 4-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]pyridin-1-ium-3-amine CAS Name: 4-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-pyridin-1-iumamine IUPAC Name: 4-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypyridin-1-ium-3-amine Traditional Name: [4-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]pyridin-1-ium-3-yl]amine Formula: C15H25N2O+ MolecularWeight: 249.3718

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC2=C(C=[NH+]C=C2)N)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC2=C(C=[NH+]C=C2)N)C(C)C

InChI

InChI=1S/C15H24N2O/c1-10(2)12-5-4-11(3)8-15(12)18-14-6-7-17-9-13(14)16/h6-7,9-12,15H,4-5,8,16H2,1-3H3/p+1/t11-,12+,15-/m0/s1