dimethyl-[(1S)-2-[2-(4-phenylphenyl)ethanoylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[2-(4-phenylphenyl)ethanoylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[2-(4-phenylphenyl)acetyl]amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[1-oxo-2-(4-phenylphenyl)ethyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[2-(4-phenylphenyl)acetyl]amino]-1-thiophen-3-ylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[[2-(4-phenylphenyl)acetyl]amino]-1-(3-thienyl)ethyl]ammonium Formula: C22H25N2OS+ MolecularWeight: 365.5117

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CC1=CC=C(C=C1)C2=CC=CC=C2)C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CC1=CC=C(C=C1)C2=CC=CC=C2)C3=CSC=C3

InChI

InChI=1S/C22H24N2OS/c1-24(2)21(20-12-13-26-16-20)15-23-22(25)14-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-13,16,21H,14-15H2,1-2H3,(H,23,25)/p+1/t21-/m1/s1