[(1S,2S,5S)-2-azaniumyl-5-tert-butyl-cyclohexyl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(1S,2S,5S)-2-azaniumyl-5-tert-butyl-cyclohexyl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(1S,2S,5S)-2-azaniumyl-5-tert-butyl-cyclohexyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(1S,2S,5S)-2-ammonio-5-tert-butylcyclohexyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(1S,2S,5S)-2-azaniumyl-5-tert-butylcyclohexyl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(1S,2S,5S)-2-ammonio-5-tert-butyl-cyclohexyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(C(C1)[NH+](C)CCC2=CC=CC=N2)[NH3+]

Isomeric SMILES

CC(C)(C)[C@H]1CC[C@@H]([C@H](C1)[NH+](C)CCC2=CC=CC=N2)[NH3+]

InChI

InChI=1S/C18H31N3/c1-18(2,3)14-8-9-16(19)17(13-14)21(4)12-10-15-7-5-6-11-20-15/h5-7,11,14,16-17H,8-10,12-13,19H2,1-4H3/p+2/t14-,16-,17-/m0/s1