[(1S,3S)-1-(azepan-1-ium-1-yl)-3-methyl-cyclohexyl]methylazanium

Systemtic Name: [(1S,3S)-1-(azepan-1-ium-1-yl)-3-methyl-cyclohexyl]methylazanium Openeye Name: [(1S,3S)-1-(azepan-1-ium-1-yl)-3-methyl-cyclohexyl]methylammonium CAS Name: [(1S,3S)-1-(1-azepan-1-iumyl)-3-methylcyclohexyl]methylammonium IUPAC Name: [(1S,3S)-1-(azepan-1-ium-1-yl)-3-methylcyclohexyl]methylazanium Traditional Name: [(1S,3S)-1-(azepan-1-ium-1-yl)-3-methyl-cyclohexyl]methylammonium Formula: C14H30N2+2 MolecularWeight: 226.4014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)(C[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C14H28N2/c1-13-7-6-8-14(11-13,12-15)16-9-4-2-3-5-10-16/h13H,2-12,15H2,1H3/p+2/t13-,14-/m0/s1