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

Systemtic Name: methyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: methyl-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: methyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: methyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [2-keto-2-(2-methyl-5-nitro-anilino)ethyl]-methyl-(2-thenyl)ammonium Formula: C15H18N3O3S+ MolecularWeight: 320.38672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=CS2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=CS2

InChI

InChI=1S/C15H17N3O3S/c1-11-5-6-12(18(20)21)8-14(11)16-15(19)10-17(2)9-13-4-3-7-22-13/h3-8H,9-10H2,1-2H3,(H,16,19)/p+1