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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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