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

Systemtic Name: 2-oxidanylidene-4-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]-3H-1,3-thiazole-5-carbaldehyde Openeye Name: 2-oxo-4-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]-3H-thiazole-5-carbaldehyde CAS Name: 2-oxo-4-[4-(3-phenylpropyl)-1-pyridin-1-iumyl]-3H-thiazole-5-carboxaldehyde IUPAC Name: 2-oxo-4-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]-3H-1,3-thiazole-5-carbaldehyde Traditional Name: 2-keto-4-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]-4-thiazoline-5-carbaldehyde Formula: C18H17N2O2S+ MolecularWeight: 325.40478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)C3=C(SC(=O)N3)C=O

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)C3=C(SC(=O)N3)C=O

InChI

InChI=1S/C18H16N2O2S/c21-13-16-17(19-18(22)23-16)20-11-9-15(10-12-20)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-13H,4,7-8H2/p+1