[(1S,2S,4S)-2-(azocan-1-ium-1-yl)-4-(2-methylbutan-2-yl)cyclohexyl]azanium

Systemtic Name: [(1S,2S,4S)-2-(azocan-1-ium-1-yl)-4-(2-methylbutan-2-yl)cyclohexyl]azanium Openeye Name: [(1S,2S,4S)-2-(azocan-1-ium-1-yl)-4-(1,1-dimethylpropyl)cyclohexyl]ammonium CAS Name: [(1S,2S,4S)-2-(1-azocan-1-iumyl)-4-(2-methylbutan-2-yl)cyclohexyl]ammonium IUPAC Name: [(1S,2S,4S)-2-(azocan-1-ium-1-yl)-4-(2-methylbutan-2-yl)cyclohexyl]azanium Traditional Name: [(1S,2S,4S)-4-tert-amyl-2-(azocan-1-ium-1-yl)cyclohexyl]ammonium Formula: C18H38N2+2 MolecularWeight: 282.50772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(C(C1)[NH+]2CCCCCCC2)[NH3+]

Isomeric SMILES

CCC(C)(C)[C@H]1CC[C@@H]([C@H](C1)[NH+]2CCCCCCC2)[NH3+]

InChI

InChI=1S/C18H36N2/c1-4-18(2,3)15-10-11-16(19)17(14-15)20-12-8-6-5-7-9-13-20/h15-17H,4-14,19H2,1-3H3/p+2/t15-,16-,17-/m0/s1