[3-cyano-2-oxidanylidene-3-(4-phenyl-1,3-thiazol-2-yl)propyl]-dihexyl-azanium

Systemtic Name: [3-cyano-2-oxidanylidene-3-(4-phenyl-1,3-thiazol-2-yl)propyl]-dihexyl-azanium Openeye Name: [3-cyano-2-oxo-3-(4-phenylthiazol-2-yl)propyl]-dihexyl-ammonium CAS Name: [3-cyano-2-oxo-3-(4-phenyl-2-thiazolyl)propyl]-dihexylammonium IUPAC Name: [3-cyano-2-oxo-3-(4-phenyl-1,3-thiazol-2-yl)propyl]-dihexylazanium Traditional Name: [3-cyano-2-keto-3-(4-phenylthiazol-2-yl)propyl]-dihexyl-ammonium Formula: C25H36N3OS+ MolecularWeight: 426.63784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH+](CCCCCC)CC(=O)C(C#N)C1=NC(=CS1)C2=CC=CC=C2

Isomeric SMILES

CCCCCC[NH+](CCCCCC)CC(=O)C(C#N)C1=NC(=CS1)C2=CC=CC=C2

InChI

InChI=1S/C25H35N3OS/c1-3-5-7-12-16-28(17-13-8-6-4-2)19-24(29)22(18-26)25-27-23(20-30-25)21-14-10-9-11-15-21/h9-11,14-15,20,22H,3-8,12-13,16-17,19H2,1-2H3/p+1