3-[4-(2-thiophen-2-ylethylcarbamoyl)phenoxy]propylazanium

Systemtic Name: 3-[4-(2-thiophen-2-ylethylcarbamoyl)phenoxy]propylazanium Openeye Name: 3-[4-[2-(2-thienyl)ethylcarbamoyl]phenoxy]propylammonium CAS Name: 3-[4-[oxo-(2-thiophen-2-ylethylamino)methyl]phenoxy]propylammonium IUPAC Name: 3-[4-(2-thiophen-2-ylethylcarbamoyl)phenoxy]propylazanium Traditional Name: 3-[4-[2-(2-thienyl)ethylcarbamoyl]phenoxy]propylammonium Formula: C16H21N2O2S+ MolecularWeight: 305.41514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCNC(=O)C2=CC=C(C=C2)OCCC[NH3+]

Isomeric SMILES

C1=CSC(=C1)CCNC(=O)C2=CC=C(C=C2)OCCC[NH3+]

InChI

InChI=1S/C16H20N2O2S/c17-9-2-11-20-14-6-4-13(5-7-14)16(19)18-10-8-15-3-1-12-21-15/h1,3-7,12H,2,8-11,17H2,(H,18,19)/p+1