(4-aminocarbonyl-2-nitro-phenyl)methyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl-ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: (4-carbamoyl-2-nitrophenyl)methyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: (4-carbamoyl-2-nitro-benzyl)-ethyl-[2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C17H21N4O4S+ MolecularWeight: 377.43804

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])CC(=O)NCC2=CC=CS2

Isomeric SMILES

CC[NH+](CC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])CC(=O)NCC2=CC=CS2

InChI

InChI=1S/C17H20N4O4S/c1-2-20(11-16(22)19-9-14-4-3-7-26-14)10-13-6-5-12(17(18)23)8-15(13)21(24)25/h3-8H,2,9-11H2,1H3,(H2,18,23)(H,19,22)/p+1