(2S)-1-(benzotriazol-1-ylmethyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S)-1-(benzotriazol-1-ylmethyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S)-1-(benzotriazol-1-ylmethyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-(1-benzotriazolylmethyl)-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S)-1-(benzotriazol-1-ylmethyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(benzotriazol-1-ylmethyl)pyrrolidin-1-ium-2-carboxylate Formula: C12H14N4O2 MolecularWeight: 246.26516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C3=CC=CC=C3N=N2)C(=O)[O-]

Isomeric SMILES

C1C[C@H]([NH+](C1)CN2C3=CC=CC=C3N=N2)C(=O)[O-]

InChI

InChI=1S/C12H14N4O2/c17-12(18)11-6-3-7-15(11)8-16-10-5-2-1-4-9(10)13-14-16/h1-2,4-5,11H,3,6-8H2,(H,17,18)/t11-/m0/s1