N-(1,2,3-benzothiadiazol-5-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide

Systemtic Name: N-(1,2,3-benzothiadiazol-5-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Openeye Name: N-(1,2,3-benzothiadiazol-5-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide CAS Name: N-(1,2,3-benzothiadiazol-5-yl)-4-(2-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-(1,2,3-benzothiadiazol-5-yl)-4-pyridin-1-ium-2-ylpiperazine-1-carboxamide Traditional Name: N-(1,2,3-benzothiadiazol-5-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Formula: C16H17N6OS+ MolecularWeight: 341.41078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)NC3=CC4=C(C=C3)SN=N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)NC3=CC4=C(C=C3)SN=N4

InChI

InChI=1S/C16H16N6OS/c23-16(18-12-4-5-14-13(11-12)19-20-24-14)22-9-7-21(8-10-22)15-3-1-2-6-17-15/h1-6,11H,7-10H2,(H,18,23)/p+1