4-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]butanenitrile

Systemtic Name: 4-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-(4-thiazol-2-ylpiperazin-1-ium-1-yl)butanenitrile CAS Name: 4-[4-(2-thiazolyl)-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-(4-thiazol-2-ylpiperazin-1-ium-1-yl)butyronitrile Formula: C11H17N4S+ MolecularWeight: 237.34448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC#N)C2=NC=CS2

Isomeric SMILES

C1CN(CC[NH+]1CCCC#N)C2=NC=CS2

InChI

InChI=1S/C11H16N4S/c12-3-1-2-5-14-6-8-15(9-7-14)11-13-4-10-16-11/h4,10H,1-2,5-9H2/p+1