2-[4-(1,3-thiazol-4-ylmethyl)piperazin-4-ium-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(1,3-thiazol-4-ylmethyl)piperazin-4-ium-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(thiazol-4-ylmethyl)piperazin-4-ium-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-(4-thiazolylmethyl)-1-piperazin-4-iumyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(1,3-thiazol-4-ylmethyl)piperazin-4-ium-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(thiazol-4-ylmethyl)piperazin-4-ium-1-yl]isonicotinonitrile Formula: C14H16N5S+ MolecularWeight: 286.37534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=N2)C3=NC=CC(=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=N2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C14H15N5S/c15-8-12-1-2-16-14(7-12)19-5-3-18(4-6-19)9-13-10-20-11-17-13/h1-2,7,10-11H,3-6,9H2/p+1