(2S)-2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxyethyl]piperidin-1-ium

Systemtic Name: (2S)-2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxyethyl]piperidin-1-ium Openeye Name: (2S)-2-[2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]ethyl]piperidin-1-ium CAS Name: (2S)-2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]piperidin-1-ium IUPAC Name: (2S)-2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]piperidin-1-ium Traditional Name: (2S)-2-[2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]ethyl]piperidin-1-ium Formula: C17H34NO+ MolecularWeight: 268.45796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCCC2CCCC[NH2+]2)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OCC[C@@H]2CCCC[NH2+]2)C(C)C

InChI

InChI=1S/C17H33NO/c1-13(2)16-8-7-14(3)12-17(16)19-11-9-15-6-4-5-10-18-15/h13-18H,4-12H2,1-3H3/p+1/t14-,15-,16+,17-/m0/s1