[4-oxidanylidene-4-[[2-(2-thiophen-2-ylethanoylamino)phenyl]amino]butyl]azanium

Systemtic Name: [4-oxidanylidene-4-[[2-(2-thiophen-2-ylethanoylamino)phenyl]amino]butyl]azanium Openeye Name: [4-oxo-4-[2-[[2-(2-thienyl)acetyl]amino]anilino]butyl]ammonium CAS Name: [4-oxo-4-[2-[(1-oxo-2-thiophen-2-ylethyl)amino]anilino]butyl]ammonium IUPAC Name: [4-oxo-4-[2-[(2-thiophen-2-ylacetyl)amino]anilino]butyl]azanium Traditional Name: [4-keto-4-[2-[[2-(2-thienyl)acetyl]amino]anilino]butyl]ammonium Formula: C16H20N3O2S+ MolecularWeight: 318.4139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCC[NH3+])NC(=O)CC2=CC=CS2

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCC[NH3+])NC(=O)CC2=CC=CS2

InChI

InChI=1S/C16H19N3O2S/c17-9-3-8-15(20)18-13-6-1-2-7-14(13)19-16(21)11-12-5-4-10-22-12/h1-2,4-7,10H,3,8-9,11,17H2,(H,18,20)(H,19,21)/p+1