[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]-[(2S)-octan-2-yl]azanium

Systemtic Name: [(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]-[(2S)-octan-2-yl]azanium Openeye Name: [(1S)-1-methylheptyl]-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]ammonium CAS Name: [(2S)-3-methyl-2-(1-pyrrolidin-1-iumyl)butyl]-[(2S)-octan-2-yl]ammonium IUPAC Name: [(2S)-3-methyl-2-pyrrolidin-1-ium-1-ylbutyl]-[(2S)-octan-2-yl]azanium Traditional Name: [(1S)-1-methylheptyl]-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]ammonium Formula: C17H38N2+2 MolecularWeight: 270.49702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H36N2/c1-5-6-7-8-11-16(4)18-14-17(15(2)3)19-12-9-10-13-19/h15-18H,5-14H2,1-4H3/p+2/t16-,17+/m0/s1