3-[1-[2-(dimethylazaniumyl)ethyl]-5-phenyl-pyrrol-2-yl]propanoate

Systemtic Name: 3-[1-[2-(dimethylazaniumyl)ethyl]-5-phenyl-pyrrol-2-yl]propanoate Openeye Name: 3-[1-[2-(dimethylammonio)ethyl]-5-phenyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-[2-(dimethylammonio)ethyl]-5-phenyl-2-pyrrolyl]propanoate IUPAC Name: 3-[1-[2-(dimethylazaniumyl)ethyl]-5-phenylpyrrol-2-yl]propanoate Traditional Name: 3-[1-[2-(dimethylammonio)ethyl]-5-phenyl-pyrrol-2-yl]propionate Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(=CC=C1C2=CC=CC=C2)CCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCN1C(=CC=C1C2=CC=CC=C2)CCC(=O)[O-]

InChI

InChI=1S/C17H22N2O2/c1-18(2)12-13-19-15(9-11-17(20)21)8-10-16(19)14-6-4-3-5-7-14/h3-8,10H,9,11-13H2,1-2H3,(H,20,21)