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

Systemtic Name: (2R)-3-[3-[3-(dimethylazaniumyl)propoxy]phenyl]-2-thiophen-2-yl-propanoate Openeye Name: (2R)-3-[3-[3-(dimethylammonio)propoxy]phenyl]-2-(2-thienyl)propanoate CAS Name: (2R)-3-[3-[3-(dimethylammonio)propoxy]phenyl]-2-thiophen-2-ylpropanoate IUPAC Name: (2R)-3-[3-[3-(dimethylazaniumyl)propoxy]phenyl]-2-thiophen-2-ylpropanoate Traditional Name: (2R)-3-[3-[3-(dimethylammonio)propoxy]phenyl]-2-(2-thienyl)propionate Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=CC=CC(=C1)CC(C2=CC=CS2)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC1=CC=CC(=C1)C[C@@H](C2=CC=CS2)C(=O)[O-]

InChI

InChI=1S/C18H23NO3S/c1-19(2)9-5-10-22-15-7-3-6-14(12-15)13-16(18(20)21)17-8-4-11-23-17/h3-4,6-8,11-12,16H,5,9-10,13H2,1-2H3,(H,20,21)/t16-/m0/s1