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

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-bis(thiophen-2-ylmethyl)azanium Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl]-bis(2-thienylmethyl)ammonium CAS Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium Traditional Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl]-bis(2-thenyl)ammonium Formula: C20H22N3O3S2+ MolecularWeight: 416.53698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+](CC2=CC=CS2)CC3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+](CC2=CC=CS2)CC3=CC=CS3

InChI

InChI=1S/C20H21N3O3S2/c1-14-9-18(19(23(25)26)10-15(14)2)21-20(24)13-22(11-16-5-3-7-27-16)12-17-6-4-8-28-17/h3-10H,11-13H2,1-2H3,(H,21,24)/p+1