[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(2S)-4-methylpentan-2-yl]azanium

Systemtic Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(2S)-4-methylpentan-2-yl]azanium Openeye Name: [(1S)-1,3-dimethylbutyl]-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]ammonium CAS Name: [(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl-[(2S)-4-methylpentan-2-yl]ammonium IUPAC Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(2S)-4-methylpentan-2-yl]azanium Traditional Name: [(1S)-1,3-dimethylbutyl]-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]ammonium Formula: C13H30N2+2 MolecularWeight: 214.3907

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1C[NH2+]C(C)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C13H28N2/c1-5-15-8-6-7-13(15)10-14-12(4)9-11(2)3/h11-14H,5-10H2,1-4H3/p+2/t12-,13-/m0/s1