[(2S)-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-2-methyl-propyl]ammonium Formula: C12H27N3O+2 MolecularWeight: 229.36228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H25N3O/c1-4-15-7-5-6-10(15)8-14-12(16)11(13)9(2)3/h9-11H,4-8,13H2,1-3H3,(H,14,16)/p+2/t10-,11-/m0/s1