(3S)-3-(4-methoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propanoate

Systemtic Name: (3S)-3-(4-methoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propanoate Openeye Name: (3S)-3-(4-methoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propanoate CAS Name: (3S)-3-(4-methoxyphenyl)-3-(1-pyrrolidin-1-iumyl)propanoate IUPAC Name: (3S)-3-(4-methoxyphenyl)-3-pyrrolidin-1-ium-1-ylpropanoate Traditional Name: (3S)-3-(4-methoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propionate Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)[O-])[NH+]2CCCC2

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC(=O)[O-])[NH+]2CCCC2

InChI

InChI=1S/C14H19NO3/c1-18-12-6-4-11(5-7-12)13(10-14(16)17)15-8-2-3-9-15/h4-7,13H,2-3,8-10H2,1H3,(H,16,17)/t13-/m0/s1