[(2S)-4-methylpentan-2-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(2S)-4-methylpentan-2-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1,3-dimethylbutyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: [(2S)-4-methylpentan-2-yl]-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(2S)-4-methylpentan-2-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1,3-dimethylbutyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C13H30N2+2 MolecularWeight: 214.3907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H28N2/c1-12(2)11-13(3)14-7-6-10-15-8-4-5-9-15/h12-14H,4-11H2,1-3H3/p+2/t13-/m0/s1