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

Systemtic Name: 2-[4-(2,1,3-benzothiadiazol-4-ylcarbonyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-(2,1,3-benzothiadiazole-4-carbonyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-[2,1,3-benzothiadiazol-4-yl(oxo)methyl]-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-(2,1,3-benzothiadiazole-4-carbonyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 2-[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=C(C=CC=[NH+]2)C#N)C(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=[NH+]2)C#N)C(=O)C3=CC=CC4=NSN=C43

InChI

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