[(3S,5S)-5-methylheptan-3-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(3S,5S)-5-methylheptan-3-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: [(3S,5S)-5-methylheptan-3-yl]-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(3S,5S)-5-methylheptan-3-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C15H34N2+2 MolecularWeight: 242.44386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H32N2/c1-4-14(3)13-15(5-2)16-9-8-12-17-10-6-7-11-17/h14-16H,4-13H2,1-3H3/p+2/t14-,15-/m0/s1