[(2S,3S)-3-methyl-1-[(2S)-2-methylpiperidin-1-ium-1-yl]pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-3-methyl-1-[(2S)-2-methylpiperidin-1-ium-1-yl]pentan-2-yl]azanium Openeye Name: [(1S,2S)-2-methyl-1-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]butyl]ammonium CAS Name: [(2S,3S)-3-methyl-1-[(2S)-2-methyl-1-piperidin-1-iumyl]pentan-2-yl]ammonium IUPAC Name: [(2S,3S)-3-methyl-1-[(2S)-2-methylpiperidin-1-ium-1-yl]pentan-2-yl]azanium Traditional Name: [(1S,2S)-2-methyl-1-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]butyl]ammonium Formula: C12H28N2+2 MolecularWeight: 200.36412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C[NH+]1CCCCC1C)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C12H26N2/c1-4-10(2)12(13)9-14-8-6-5-7-11(14)3/h10-12H,4-9,13H2,1-3H3/p+2/t10-,11-,12+/m0/s1