[(2S)-2-methylbutyl]-(3-piperidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(2S)-2-methylbutyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: [(2S)-2-methylbutyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: [(2S)-2-methylbutyl]-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(2S)-2-methylbutyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: [(2S)-2-methylbutyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C13H30N2+2 MolecularWeight: 214.3907

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C[NH2+]CCC[NH+]1CCCCC1

Isomeric SMILES

CC[C@H](C)C[NH2+]CCC[NH+]1CCCCC1

InChI

InChI=1S/C13H28N2/c1-3-13(2)12-14-8-7-11-15-9-5-4-6-10-15/h13-14H,3-12H2,1-2H3/p+2/t13-/m0/s1