ethyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name: ethyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: ethyl-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: ethyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: ethyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: ethyl-[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]-[2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C18H23N4O4S+ MolecularWeight: 391.46462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=O)NCC1=CC=CS1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CC[NH+](CC(=O)NCC1=CC=CS1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H22N4O4S/c1-3-21(11-17(23)19-10-15-5-4-8-27-15)12-18(24)20-16-9-14(22(25)26)7-6-13(16)2/h4-9H,3,10-12H2,1-2H3,(H,19,23)(H,20,24)/p+1