(2E)-2-[1-(phenylmethyl)pyrrolidin-1-ium-3-ylidene]ethanoate

Systemtic Name: (2E)-2-[1-(phenylmethyl)pyrrolidin-1-ium-3-ylidene]ethanoate Openeye Name: (2E)-2-(1-benzylpyrrolidin-1-ium-3-ylidene)acetate CAS Name: (2E)-2-[1-(phenylmethyl)-3-pyrrolidin-1-iumylidene]acetate IUPAC Name: (2E)-2-(1-benzylpyrrolidin-1-ium-3-ylidene)acetate Traditional Name: (2E)-2-(1-benzylpyrrolidin-1-ium-3-ylidene)acetate Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1=CC(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

C\1C[NH+](C/C1=C/C(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C13H15NO2/c15-13(16)8-12-6-7-14(10-12)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,15,16)/b12-8+