ethyl (2S)-2-cyano-2-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethanoate

Systemtic Name: ethyl (2S)-2-cyano-2-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethanoate Openeye Name: ethyl (2S)-2-cyano-2-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)acetate CAS Name: (2S)-2-cyano-2-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-2-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)acetate Traditional Name: (2S)-2-cyano-2-(1-pyrrolin-1-ium-2-yl)acetic acid ethyl ester Formula: C9H13N2O2+ MolecularWeight: 181.21172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=[NH+]CCC1

Isomeric SMILES

CCOC(=O)[C@H](C#N)C1=[NH+]CCC1

InChI

InChI=1S/C9H12N2O2/c1-2-13-9(12)7(6-10)8-4-3-5-11-8/h7H,2-5H2,1H3/p+1/t7-/m1/s1