4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoylamino]-4-oxo-butanoate CAS Name: 4-[[[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-oxomethyl]amino]-4-oxobutanoate IUPAC Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoylamino]-4-oxobutanoate Traditional Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoylamino]-4-keto-butyrate Formula: C12H21N3O4 MolecularWeight: 271.31284

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)NC(=O)CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H21N3O4/c1-2-15-7-3-4-9(15)8-13-12(19)14-10(16)5-6-11(17)18/h9H,2-8H2,1H3,(H,17,18)(H2,13,14,16,19)/t9-/m0/s1