3-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxypropylazanium

Systemtic Name: 3-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxypropylazanium Openeye Name: 3-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]propylammonium CAS Name: 3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropylammonium IUPAC Name: 3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropylazanium Traditional Name: 3-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]propylammonium Formula: C13H28NO+ MolecularWeight: 214.36752

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCCC[NH3+])C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OCCC[NH3+])C(C)C

InChI

InChI=1S/C13H27NO/c1-10(2)12-6-5-11(3)9-13(12)15-8-4-7-14/h10-13H,4-9,14H2,1-3H3/p+1/t11-,12+,13-/m0/s1