dimethyl-[(1S)-1-phenyl-2-[3-(thiophen-3-ylcarbonylamino)propanoylamino]ethyl]azanium

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[3-(thiophen-3-ylcarbonylamino)propanoylamino]ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[3-(thiophene-3-carbonylamino)propanoylamino]ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[1-oxo-3-[[oxo(3-thiophenyl)methyl]amino]propyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[3-(thiophene-3-carbonylamino)propanoylamino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[3-(3-thenoylamino)propanoylamino]ethyl]ammonium Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2S/c1-21(2)16(14-6-4-3-5-7-14)12-20-17(22)8-10-19-18(23)15-9-11-24-13-15/h3-7,9,11,13,16H,8,10,12H2,1-2H3,(H,19,23)(H,20,22)/p+1/t16-/m1/s1