(E)-[2-oxidanylidene-4-[4-(3-pyridin-4-ylpropyl)pyridin-1-ium-1-yl]-1,3-thiazol-5-ylidene]methanolate

Systemtic Name: (E)-[2-oxidanylidene-4-[4-(3-pyridin-4-ylpropyl)pyridin-1-ium-1-yl]-1,3-thiazol-5-ylidene]methanolate Openeye Name: (E)-[2-oxo-4-[4-[3-(4-pyridyl)propyl]pyridin-1-ium-1-yl]thiazol-5-ylidene]methanolate CAS Name: (E)-[2-oxo-4-[4-(3-pyridin-4-ylpropyl)-1-pyridin-1-iumyl]-5-thiazolylidene]methanolate IUPAC Name: (E)-[2-oxo-4-[4-(3-pyridin-4-ylpropyl)pyridin-1-ium-1-yl]-1,3-thiazol-5-ylidene]methanolate Traditional Name: (E)-[2-keto-4-[4-[3-(4-pyridyl)propyl]pyridin-1-ium-1-yl]-3-thiazolin-5-ylidene]methanolate Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CCCC2=CC=[N+](C=C2)C3=NC(=O)SC3=C[O-]

Isomeric SMILES

C1=CN=CC=C1CCCC2=CC=[N+](C=C2)C\3=NC(=O)S/C3=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