[6-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-6-oxidanylidene-hexyl]azanium

Systemtic Name: [6-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-6-oxidanylidene-hexyl]azanium Openeye Name: [6-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-6-oxo-hexyl]ammonium CAS Name: [6-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-6-oxohexyl]ammonium IUPAC Name: [6-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-6-oxohexyl]azanium Traditional Name: [6-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-6-keto-hexyl]ammonium Formula: C13H29N3O+2 MolecularWeight: 243.38886

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)CCCCC[NH3+]

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)CCCCC[NH3+]

InChI

InChI=1S/C13H27N3O/c1-2-16-10-6-7-12(16)11-15-13(17)8-4-3-5-9-14/h12H,2-11,14H2,1H3,(H,15,17)/p+2/t12-/m0/s1