[(1R,5S)-1-(azepan-1-ium-1-yl)-3,3,5-trimethyl-cyclohexyl]methylazanium

Systemtic Name: [(1R,5S)-1-(azepan-1-ium-1-yl)-3,3,5-trimethyl-cyclohexyl]methylazanium Openeye Name: [(1R,5S)-1-(azepan-1-ium-1-yl)-3,3,5-trimethyl-cyclohexyl]methylammonium CAS Name: [(1R,5S)-1-(1-azepan-1-iumyl)-3,3,5-trimethylcyclohexyl]methylammonium IUPAC Name: [(1R,5S)-1-(azepan-1-ium-1-yl)-3,3,5-trimethylcyclohexyl]methylazanium Traditional Name: [(1R,5S)-1-(azepan-1-ium-1-yl)-3,3,5-trimethyl-cyclohexyl]methylammonium Formula: C16H34N2+2 MolecularWeight: 254.45456

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C[NH3+])[NH+]2CCCCCC2)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H32N2/c1-14-10-15(2,3)12-16(11-14,13-17)18-8-6-4-5-7-9-18/h14H,4-13,17H2,1-3H3/p+2/t14-,16+/m0/s1