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

Systemtic Name: [(2S)-heptan-2-yl]-(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-methylhexyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: [(2S)-heptan-2-yl]-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(2S)-heptan-2-yl]-(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-methylhexyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C15H34N2+2 MolecularWeight: 242.44386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[NH2+]CCC[NH+]1CCCCC1

Isomeric SMILES

CCCCC[C@H](C)[NH2+]CCC[NH+]1CCCCC1

InChI

InChI=1S/C15H32N2/c1-3-4-6-10-15(2)16-11-9-14-17-12-7-5-8-13-17/h15-16H,3-14H2,1-2H3/p+2/t15-/m0/s1