[(2S)-5-methylhexan-2-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(2S)-5-methylhexan-2-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: [(2S)-5-methylhexan-2-yl]-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(2S)-5-methylhexan-2-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C14H32N2+2 MolecularWeight: 228.41728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H30N2/c1-13(2)7-8-14(3)15-9-6-12-16-10-4-5-11-16/h13-15H,4-12H2,1-3H3/p+2/t14-/m0/s1