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

Systemtic Name: (2S)-2-[[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]piperidin-1-ium Openeye Name: (2S)-2-[[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]methyl]piperidin-1-ium CAS Name: (2S)-2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]piperidin-1-ium IUPAC Name: (2S)-2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]piperidin-1-ium Traditional Name: (2S)-2-[[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]methyl]piperidin-1-ium Formula: C16H32NO+ MolecularWeight: 254.43138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC2CCCC[NH2+]2)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H31NO/c1-12(2)15-8-7-13(3)10-16(15)18-11-14-6-4-5-9-17-14/h12-17H,4-11H2,1-3H3/p+1/t13-,14-,15+,16-/m0/s1