methyl (2S)-2-(3,4-dihydro-2H-pyrrol-1-ium-1-yl)-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-(3,4-dihydro-2H-pyrrol-1-ium-1-yl)-3-phenyl-propanoate Openeye Name: methyl (2S)-2-(3,4-dihydro-2H-pyrrol-1-ium-1-yl)-3-phenyl-propanoate CAS Name: (2S)-2-(3,4-dihydro-2H-pyrrol-1-ium-1-yl)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-(3,4-dihydro-2H-pyrrol-1-ium-1-yl)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-(1-pyrrolin-1-ium-1-yl)propionic acid methyl ester Formula: C14H18NO2+ MolecularWeight: 232.29822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)[N+]2=CCCC2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)[N+]2=CCCC2

InChI

InChI=1S/C14H18NO2/c1-17-14(16)13(15-9-5-6-10-15)11-12-7-3-2-4-8-12/h2-4,7-9,13H,5-6,10-11H2,1H3/q+1/t13-/m0/s1