methyl-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: methyl-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: methyl-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]-(2-thienylmethyl)ammonium CAS Name: methyl-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: methyl-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]-(thiophen-2-ylmethyl)azanium Traditional Name: methyl-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]-(2-thenyl)ammonium Formula: C17H20N3OS+ MolecularWeight: 314.4252

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CS1)CC2=NC(=NO2)CCC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC=CS1)CC2=NC(=NO2)CCC3=CC=CC=C3

InChI

InChI=1S/C17H19N3OS/c1-20(12-15-8-5-11-22-15)13-17-18-16(19-21-17)10-9-14-6-3-2-4-7-14/h2-8,11H,9-10,12-13H2,1H3/p+1