[(2R,4S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-ethyl-4-methyl-hexyl]azanium

Systemtic Name: [(2R,4S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-ethyl-4-methyl-hexyl]azanium Openeye Name: [(2R,4S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-ethyl-4-methyl-hexyl]ammonium CAS Name: [(2R,4S)-2-[(3S,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-2-ethyl-4-methylhexyl]ammonium IUPAC Name: [(2R,4S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-ethyl-4-methylhexyl]azanium Traditional Name: [(2R,4S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-ethyl-4-methyl-hexyl]ammonium Formula: C16H36N2+2 MolecularWeight: 256.47044

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)(C[NH3+])[NH+]1CC(CC(C1)C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H34N2/c1-6-13(3)9-16(7-2,12-17)18-10-14(4)8-15(5)11-18/h13-15H,6-12,17H2,1-5H3/p+2/t13-,14-,15+,16+/m0/s1