2-azanyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile

Systemtic Name: 2-azanyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile Openeye Name: 2-amino-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thiazole-5-carbonitrile CAS Name: 2-amino-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-5-thiazolecarbonitrile IUPAC Name: 2-amino-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile Traditional Name: 2-amino-4-(4-pyridin-1-ium-2-ylpiperazino)thiazole-5-carbonitrile Formula: C13H15N6S+ MolecularWeight: 287.3634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(SC(=N3)N)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(SC(=N3)N)C#N

InChI

InChI=1S/C13H14N6S/c14-9-10-12(17-13(15)20-10)19-7-5-18(6-8-19)11-3-1-2-4-16-11/h1-4H,5-8H2,(H2,15,17)/p+1