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

Systemtic Name: [(1S,2S,4S)-2-(azocan-1-ium-1-yl)-4-methyl-cyclohexyl]azanium Openeye Name: [(1S,2S,4S)-2-(azocan-1-ium-1-yl)-4-methyl-cyclohexyl]ammonium CAS Name: [(1S,2S,4S)-2-(1-azocan-1-iumyl)-4-methylcyclohexyl]ammonium IUPAC Name: [(1S,2S,4S)-2-(azocan-1-ium-1-yl)-4-methylcyclohexyl]azanium Traditional Name: [(1S,2S,4S)-2-(azocan-1-ium-1-yl)-4-methyl-cyclohexyl]ammonium Formula: C14H30N2+2 MolecularWeight: 226.4014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)[NH+]2CCCCCCC2)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C14H28N2/c1-12-7-8-13(15)14(11-12)16-9-5-3-2-4-6-10-16/h12-14H,2-11,15H2,1H3/p+2/t12-,13-,14-/m0/s1