1,2,3-benzothiadiazol-5-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: 1,2,3-benzothiadiazol-5-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: 1,2,3-benzothiadiazol-5-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: 1,2,3-benzothiadiazol-5-yl-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: 1,2,3-benzothiadiazol-5-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: 1,2,3-benzothiadiazol-5-yl-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C16H16N5OS+ MolecularWeight: 326.39614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)SN=N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)SN=N4

InChI

InChI=1S/C16H15N5OS/c22-16(12-4-5-14-13(11-12)18-19-23-14)21-9-7-20(8-10-21)15-3-1-2-6-17-15/h1-6,11H,7-10H2/p+1