(2S)-3-[5-chloranyl-2-[3-(dimethylazaniumyl)propoxy]phenyl]-2-phenyl-propanoate

Systemtic Name: (2S)-3-[5-chloranyl-2-[3-(dimethylazaniumyl)propoxy]phenyl]-2-phenyl-propanoate Openeye Name: (2S)-3-[5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]-2-phenyl-propanoate CAS Name: (2S)-3-[5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]-2-phenylpropanoate IUPAC Name: (2S)-3-[5-chloro-2-[3-(dimethylazaniumyl)propoxy]phenyl]-2-phenylpropanoate Traditional Name: (2S)-3-[5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]-2-phenyl-propionate Formula: C20H24ClNO3 MolecularWeight: 361.86246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClNO3/c1-22(2)11-6-12-25-19-10-9-17(21)13-16(19)14-18(20(23)24)15-7-4-3-5-8-15/h3-5,7-10,13,18H,6,11-12,14H2,1-2H3,(H,23,24)/t18-/m0/s1