dimethyl-[(1S)-2-[2-(4-phenylphenoxy)ethanoylamino]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[2-(4-phenylphenoxy)ethanoylamino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[2-(4-phenylphenoxy)acetyl]amino]-1-(2-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[1-oxo-2-(4-phenylphenoxy)ethyl]amino]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[2-(4-phenylphenoxy)acetyl]amino]-1-thiophen-2-ylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[[2-(4-phenylphenoxy)acetyl]amino]-1-(2-thienyl)ethyl]ammonium Formula: C22H25N2O2S+ MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)COC1=CC=C(C=C1)C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

C[NH+](C)[C@@H](CNC(=O)COC1=CC=C(C=C1)C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C22H24N2O2S/c1-24(2)20(21-9-6-14-27-21)15-23-22(25)16-26-19-12-10-18(11-13-19)17-7-4-3-5-8-17/h3-14,20H,15-16H2,1-2H3,(H,23,25)/p+1/t20-/m0/s1