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

Systemtic Name: 4-[4-[(4-chlorophenyl)methyl]pyridin-1-ium-1-yl]-2-oxidanylidene-3H-1,3-thiazole-5-carbaldehyde Openeye Name: 4-[4-[(4-chlorophenyl)methyl]pyridin-1-ium-1-yl]-2-oxo-3H-thiazole-5-carbaldehyde CAS Name: 4-[4-[(4-chlorophenyl)methyl]-1-pyridin-1-iumyl]-2-oxo-3H-thiazole-5-carboxaldehyde IUPAC Name: 4-[4-[(4-chlorophenyl)methyl]pyridin-1-ium-1-yl]-2-oxo-3H-1,3-thiazole-5-carbaldehyde Traditional Name: 4-[4-(4-chlorobenzyl)pyridin-1-ium-1-yl]-2-keto-4-thiazoline-5-carbaldehyde Formula: C16H12ClN2O2S+ MolecularWeight: 331.79668

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O2S/c17-13-3-1-11(2-4-13)9-12-5-7-19(8-6-12)15-14(10-20)22-16(21)18-15/h1-8,10H,9H2/p+1