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

Systemtic Name: dimethyl-[(1S)-2-(3-phenylpropanoylamino)-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-(3-phenylpropanoylamino)-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[(1-oxo-3-phenylpropyl)amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-(3-phenylpropanoylamino)-1-thiophen-3-ylethyl]azanium Traditional Name: [(1S)-2-(hydrocinnamoylamino)-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C17H23N2OS+ MolecularWeight: 303.44232

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CCC1=CC=CC=C1)C2=CSC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CCC1=CC=CC=C1)C2=CSC=C2

InChI

InChI=1S/C17H22N2OS/c1-19(2)16(15-10-11-21-13-15)12-18-17(20)9-8-14-6-4-3-5-7-14/h3-7,10-11,13,16H,8-9,12H2,1-2H3,(H,18,20)/p+1/t16-/m1/s1