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

Systemtic Name: [(1S,2S,4S)-2-(azepan-1-ium-1-yl)-4-(2-methylbutan-2-yl)cyclohexyl]azanium Openeye Name: [(1S,2S,4S)-2-(azepan-1-ium-1-yl)-4-(1,1-dimethylpropyl)cyclohexyl]ammonium CAS Name: [(1S,2S,4S)-2-(1-azepan-1-iumyl)-4-(2-methylbutan-2-yl)cyclohexyl]ammonium IUPAC Name: [(1S,2S,4S)-2-(azepan-1-ium-1-yl)-4-(2-methylbutan-2-yl)cyclohexyl]azanium Traditional Name: [(1S,2S,4S)-4-tert-amyl-2-(azepan-1-ium-1-yl)cyclohexyl]ammonium Formula: C17H36N2+2 MolecularWeight: 268.48114

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(C(C1)[NH+]2CCCCCC2)[NH3+]

Isomeric SMILES

CCC(C)(C)[C@H]1CC[C@@H]([C@H](C1)[NH+]2CCCCCC2)[NH3+]

InChI

InChI=1S/C17H34N2/c1-4-17(2,3)14-9-10-15(18)16(13-14)19-11-7-5-6-8-12-19/h14-16H,4-13,18H2,1-3H3/p+2/t14-,15-,16-/m0/s1