(2R)-3-[2-[3-(dimethylazaniumyl)propoxy]naphthalen-1-yl]-2-thiophen-2-yl-propanoate

Systemtic Name: (2R)-3-[2-[3-(dimethylazaniumyl)propoxy]naphthalen-1-yl]-2-thiophen-2-yl-propanoate Openeye Name: (2R)-3-[2-[3-(dimethylammonio)propoxy]-1-naphthyl]-2-(2-thienyl)propanoate CAS Name: (2R)-3-[2-[3-(dimethylammonio)propoxy]-1-naphthalenyl]-2-thiophen-2-ylpropanoate IUPAC Name: (2R)-3-[2-[3-(dimethylazaniumyl)propoxy]naphthalen-1-yl]-2-thiophen-2-ylpropanoate Traditional Name: (2R)-3-[2-[3-(dimethylammonio)propoxy]-1-naphthyl]-2-(2-thienyl)propionate Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C2=CC=CC=C2C=C1)CC(C3=CC=CS3)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC1=C(C2=CC=CC=C2C=C1)C[C@@H](C3=CC=CS3)C(=O)[O-]

InChI

InChI=1S/C22H25NO3S/c1-23(2)12-6-13-26-20-11-10-16-7-3-4-8-17(16)18(20)15-19(22(24)25)21-9-5-14-27-21/h3-5,7-11,14,19H,6,12-13,15H2,1-2H3,(H,24,25)/t19-/m0/s1