(2-nitrophenyl)methyl-[2-(thiophen-2-ylcarbonylamino)ethyl]azanium

Systemtic Name: (2-nitrophenyl)methyl-[2-(thiophen-2-ylcarbonylamino)ethyl]azanium Openeye Name: (2-nitrophenyl)methyl-[2-(thiophene-2-carbonylamino)ethyl]ammonium CAS Name: (2-nitrophenyl)methyl-[2-[[oxo(thiophen-2-yl)methyl]amino]ethyl]ammonium IUPAC Name: (2-nitrophenyl)methyl-[2-(thiophene-2-carbonylamino)ethyl]azanium Traditional Name: (2-nitrobenzyl)-[2-(2-thenoylamino)ethyl]ammonium Formula: C14H16N3O3S+ MolecularWeight: 306.36014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[NH2+]CCNC(=O)C2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C[NH2+]CCNC(=O)C2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O3S/c18-14(13-6-3-9-21-13)16-8-7-15-10-11-4-1-2-5-12(11)17(19)20/h1-6,9,15H,7-8,10H2,(H,16,18)/p+1