[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl]-methyl-(3-thenyl)ammonium Formula: C16H20N3O3S+ MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CSC=C2

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CSC=C2

InChI

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