(E)-4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoylamino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-oxomethyl]amino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoylamino]-4-keto-but-2-enoate Formula: C12H19N3O4 MolecularWeight: 269.29696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O4/c1-2-15-7-3-4-9(15)8-13-12(19)14-10(16)5-6-11(17)18/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)(H2,13,14,16,19)/b6-5+/t9-/m0/s1