6-[4-(2,1,3-benzothiadiazol-4-ylcarbonyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-[4-(2,1,3-benzothiadiazol-4-ylcarbonyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 6-[4-(2,1,3-benzothiadiazole-4-carbonyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 6-[4-[2,1,3-benzothiadiazol-4-yl(oxo)methyl]-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-[4-(2,1,3-benzothiadiazole-4-carbonyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 6-[4-(piazthiole-4-carbonyl)piperazino]pyridin-1-ium-3-carbonitrile Formula: C17H15N6OS+ MolecularWeight: 351.4056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C#N)C(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C#N)C(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C17H14N6OS/c18-10-12-4-5-15(19-11-12)22-6-8-23(9-7-22)17(24)13-2-1-3-14-16(13)21-25-20-14/h1-5,11H,6-9H2/p+1