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

Systemtic Name: [(2S)-heptan-2-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-methylhexyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: [(2S)-heptan-2-yl]-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(2S)-heptan-2-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-methylhexyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C14H32N2+2 MolecularWeight: 228.41728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H30N2/c1-3-4-5-9-14(2)15-10-8-13-16-11-6-7-12-16/h14-15H,3-13H2,1-2H3/p+2/t14-/m0/s1