4-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]-2-oxidanylidene-3H-1,3-thiazole-5-carbaldehyde

Systemtic Name: 4-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]-2-oxidanylidene-3H-1,3-thiazole-5-carbaldehyde Openeye Name: 4-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]-2-oxo-3H-thiazole-5-carbaldehyde CAS Name: 4-[4-[(4-nitrophenyl)methyl]-1-pyridin-1-iumyl]-2-oxo-3H-thiazole-5-carboxaldehyde IUPAC Name: 4-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]-2-oxo-3H-1,3-thiazole-5-carbaldehyde Traditional Name: 2-keto-4-[4-(4-nitrobenzyl)pyridin-1-ium-1-yl]-4-thiazoline-5-carbaldehyde Formula: C16H12N3O4S+ MolecularWeight: 342.34918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=[N+](C=C2)C3=C(SC(=O)N3)C=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=[N+](C=C2)C3=C(SC(=O)N3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O4S/c20-10-14-15(17-16(21)24-14)18-7-5-12(6-8-18)9-11-1-3-13(4-2-11)19(22)23/h1-8,10H,9H2/p+1