[(1S)-2-(3,3-diphenylpropanoylamino)-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-(3,3-diphenylpropanoylamino)-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(3,3-diphenylpropanoylamino)-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1S)-2-[(1-oxo-3,3-diphenylpropyl)amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: [(1S)-2-(3,3-diphenylpropanoylamino)-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-(3,3-diphenylpropanoylamino)-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C23H27N2OS+ MolecularWeight: 379.53828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2OS/c1-25(2)22(20-13-14-27-17-20)16-24-23(26)15-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,17,21-22H,15-16H2,1-2H3,(H,24,26)/p+1/t22-/m1/s1