[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-(phenylmethyl)-(1,3-thiazolidin-2-ylidene)azanium

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-(phenylmethyl)-(1,3-thiazolidin-2-ylidene)azanium Openeye Name: benzyl-[2-(3-nitrophenyl)-2-oxo-ethyl]-thiazolidin-2-ylidene-ammonium CAS Name: [2-(3-nitrophenyl)-2-oxoethyl]-(phenylmethyl)-(2-thiazolidinylidene)ammonium IUPAC Name: benzyl-[2-(3-nitrophenyl)-2-oxoethyl]-(1,3-thiazolidin-2-ylidene)azanium Traditional Name: benzyl-[2-keto-2-(3-nitrophenyl)ethyl]-thiazolidin-2-ylidene-ammonium Formula: C18H18N3O3S+ MolecularWeight: 356.41882

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=[N+](CC2=CC=CC=C2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N1

Isomeric SMILES

C1CSC(=[N+](CC2=CC=CC=C2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N1

InChI

InChI=1S/C18H17N3O3S/c22-17(15-7-4-8-16(11-15)21(23)24)13-20(18-19-9-10-25-18)12-14-5-2-1-3-6-14/h1-8,11H,9-10,12-13H2/p+1