3-[4-(5-cyclohexylidene-4-oxidanylidene-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(5-cyclohexylidene-4-oxidanylidene-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(5-cyclohexylidene-4-oxo-thiazol-2-yl)piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(5-cyclohexylidene-4-oxo-2-thiazolyl)-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(5-cyclohexylidene-4-oxo-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(5-cyclohexylidene-4-keto-2-thiazolin-2-yl)piperazin-1-ium-1-yl]propionitrile Formula: C16H23N4OS+ MolecularWeight: 319.44502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C2C(=O)N=C(S2)N3CC[NH+](CC3)CCC#N)CC1

Isomeric SMILES

C1CCC(=C2C(=O)N=C(S2)N3CC[NH+](CC3)CCC#N)CC1

InChI

InChI=1S/C16H22N4OS/c17-7-4-8-19-9-11-20(12-10-19)16-18-15(21)14(22-16)13-5-2-1-3-6-13/h1-6,8-12H2/p+1