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

Systemtic Name: (E)-[2-oxidanylidene-4-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]-1,3-thiazol-5-ylidene]methanolate Openeye Name: (E)-[2-oxo-4-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]thiazol-5-ylidene]methanolate CAS Name: (E)-[2-oxo-4-[4-(3-phenylpropyl)-1-pyridin-1-iumyl]-5-thiazolylidene]methanolate IUPAC Name: (E)-[2-oxo-4-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]-1,3-thiazol-5-ylidene]methanolate Traditional Name: (E)-[2-keto-4-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]-3-thiazolin-5-ylidene]methanolate Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)C3=NC(=O)SC3=C[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)C\3=NC(=O)S/C3=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