[(2S,3S)-3-methylpentan-2-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)[NH2+]CCC[NH+]1CCCC1

Isomeric SMILES

CC[C@H](C)[C@H](C)[NH2+]CCC[NH+]1CCCC1

InChI

InChI=1S/C13H28N2/c1-4-12(2)13(3)14-8-7-11-15-9-5-6-10-15/h12-14H,4-11H2,1-3H3/p+2/t12-,13-/m0/s1