3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(2S)-octan-2-yl]azanium

Systemtic Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(2S)-octan-2-yl]azanium Openeye Name: [(1S)-1-methylheptyl]-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium CAS Name: 3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl-[(2S)-octan-2-yl]ammonium IUPAC Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(2S)-octan-2-yl]azanium Traditional Name: [(1S)-1-methylheptyl]-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium Formula: C17H38N2+2 MolecularWeight: 270.49702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)[NH2+]CCC[NH+]1CCCCC1C

Isomeric SMILES

CCCCCC[C@H](C)[NH2+]CCC[NH+]1CCCC[C@@H]1C

InChI

InChI=1S/C17H36N2/c1-4-5-6-7-11-16(2)18-13-10-15-19-14-9-8-12-17(19)3/h16-18H,4-15H2,1-3H3/p+2/t16-,17-/m0/s1