[(1S)-2-[(3-cyanophenyl)carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(3-cyanophenyl)carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(3-cyanobenzoyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(3-cyanophenyl)-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(3-cyanobenzoyl)amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(3-cyanobenzoyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C16H18N3OS+ MolecularWeight: 300.39862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3OS/c1-19(2)15(14-6-7-21-11-14)10-18-16(20)13-5-3-4-12(8-13)9-17/h3-8,11,15H,10H2,1-2H3,(H,18,20)/p+1/t15-/m1/s1