dimethyl-[(1S)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[1-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-1-thiophen-3-ylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-1-(3-thienyl)ethyl]ammonium Formula: C18H22N5O2S+ MolecularWeight: 372.46458

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CCC1=NC(=NO1)C2=CC=NC=C2)C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CCC1=NC(=NO1)C2=CC=NC=C2)C3=CSC=C3

InChI

InChI=1S/C18H21N5O2S/c1-23(2)15(14-7-10-26-12-14)11-20-16(24)3-4-17-21-18(22-25-17)13-5-8-19-9-6-13/h5-10,12,15H,3-4,11H2,1-2H3,(H,20,24)/p+1/t15-/m1/s1