(5-bromanyl-2-methoxy-phenyl)methyl-[2-(thiophen-2-ylcarbonylamino)ethyl]azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[2-(thiophen-2-ylcarbonylamino)ethyl]azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[2-(thiophene-2-carbonylamino)ethyl]ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[2-[[oxo(thiophen-2-yl)methyl]amino]ethyl]ammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[2-(thiophene-2-carbonylamino)ethyl]azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-(2-thenoylamino)ethyl]ammonium Formula: C15H18BrN2O2S+ MolecularWeight: 370.28462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH2+]CCNC(=O)C2=CC=CS2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH2+]CCNC(=O)C2=CC=CS2

InChI

InChI=1S/C15H17BrN2O2S/c1-20-13-5-4-12(16)9-11(13)10-17-6-7-18-15(19)14-3-2-8-21-14/h2-5,8-9,17H,6-7,10H2,1H3,(H,18,19)/p+1