[(3S,4S)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]heptan-4-yl]azanium

Systemtic Name: [(3S,4S)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]heptan-4-yl]azanium Openeye Name: [(1S,2S)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-[(3R)-3-methyl-1-piperidin-1-iumyl]heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]heptan-4-yl]azanium Traditional Name: [(1S,2S)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]-1-propyl-butyl]ammonium Formula: C13H30N2+2 MolecularWeight: 214.3907

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)[NH+]1CCCC(C1)C)[NH3+]

Isomeric SMILES

CCC[C@@H]([C@H](CC)[NH+]1CCC[C@H](C1)C)[NH3+]

InChI

InChI=1S/C13H28N2/c1-4-7-12(14)13(5-2)15-9-6-8-11(3)10-15/h11-13H,4-10,14H2,1-3H3/p+2/t11-,12+,13+/m1/s1