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

Systemtic Name: 2-oxidanylidene-4-[4-(3-pyridin-4-ylpropyl)pyridin-1-ium-1-yl]-3H-1,3-thiazole-5-carbaldehyde Openeye Name: 2-oxo-4-[4-[3-(4-pyridyl)propyl]pyridin-1-ium-1-yl]-3H-thiazole-5-carbaldehyde CAS Name: 2-oxo-4-[4-(3-pyridin-4-ylpropyl)-1-pyridin-1-iumyl]-3H-thiazole-5-carboxaldehyde IUPAC Name: 2-oxo-4-[4-(3-pyridin-4-ylpropyl)pyridin-1-ium-1-yl]-3H-1,3-thiazole-5-carbaldehyde Traditional Name: 2-keto-4-[4-[3-(4-pyridyl)propyl]pyridin-1-ium-1-yl]-4-thiazoline-5-carbaldehyde Formula: C17H16N3O2S+ MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CCCC2=CC=[N+](C=C2)C3=C(SC(=O)N3)C=O

Isomeric SMILES

C1=CN=CC=C1CCCC2=CC=[N+](C=C2)C3=C(SC(=O)N3)C=O

InChI

InChI=1S/C17H15N3O2S/c21-12-15-16(19-17(22)23-15)20-10-6-14(7-11-20)3-1-2-13-4-8-18-9-5-13/h4-12H,1-3H2/p+1