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

Systemtic Name: furan-2-ylmethyl-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: 2-furylmethyl-[2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: 2-furanylmethyl-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: furan-2-ylmethyl-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: 2-furfuryl-[2-keto-2-(4-methyl-3-nitro-anilino)ethyl]-(2-thenyl)ammonium Formula: C19H20N3O4S+ MolecularWeight: 386.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+](CC2=CC=CO2)CC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+](CC2=CC=CO2)CC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S/c1-14-6-7-15(10-18(14)22(24)25)20-19(23)13-21(11-16-4-2-8-26-16)12-17-5-3-9-27-17/h2-10H,11-13H2,1H3,(H,20,23)/p+1