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

Systemtic Name: [(2S)-pentan-2-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-methylbutyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: [(2S)-pentan-2-yl]-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(2S)-pentan-2-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-methylbutyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C12H28N2+2 MolecularWeight: 200.36412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H26N2/c1-3-7-12(2)13-8-6-11-14-9-4-5-10-14/h12-13H,3-11H2,1-2H3/p+2/t12-/m0/s1