ethyl-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: ethyl-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: ethyl-[2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: ethyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: ethyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: ethyl-[2-keto-2-(2-methyl-4-nitro-anilino)ethyl]-(2-thenyl)ammonium Formula: C16H20N3O3S+ MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CS1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC[NH+](CC1=CC=CS1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H19N3O3S/c1-3-18(10-14-5-4-8-23-14)11-16(20)17-15-7-6-13(19(21)22)9-12(15)2/h4-9H,3,10-11H2,1-2H3,(H,17,20)/p+1