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

Systemtic Name: 3-[4-(4-oxidanylidene-5-propan-2-ylidene-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(5-isopropylidene-4-oxo-thiazol-2-yl)piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(4-oxo-5-propan-2-ylidene-2-thiazolyl)-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(4-oxo-5-propan-2-ylidene-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(5-isopropylidene-4-keto-2-thiazolin-2-yl)piperazin-1-ium-1-yl]propionitrile Formula: C13H19N4OS+ MolecularWeight: 279.38116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)N=C(S1)N2CC[NH+](CC2)CCC#N)C

Isomeric SMILES

CC(=C1C(=O)N=C(S1)N2CC[NH+](CC2)CCC#N)C

InChI

InChI=1S/C13H18N4OS/c1-10(2)11-12(18)15-13(19-11)17-8-6-16(7-9-17)5-3-4-14/h3,5-9H2,1-2H3/p+1