3-(1,3-benzothiazol-2-yl)-N-(6-piperidin-1-ylpyridin-1-ium-3-yl)pyrazine-2-carboxamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-(6-piperidin-1-ylpyridin-1-ium-3-yl)pyrazine-2-carboxamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[6-(1-piperidyl)pyridin-1-ium-3-yl]pyrazine-2-carboxamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[6-(1-piperidinyl)-3-pyridin-1-iumyl]-2-pyrazinecarboxamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-(6-piperidin-1-ylpyridin-1-ium-3-yl)pyrazine-2-carboxamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-(6-piperidinopyridin-1-ium-3-yl)pyrazinamide Formula: C22H21N6OS+ MolecularWeight: 417.50674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=[NH+]C=C(C=C2)NC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(CC1)C2=[NH+]C=C(C=C2)NC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N6OS/c29-21(26-15-8-9-18(25-14-15)28-12-4-1-5-13-28)19-20(24-11-10-23-19)22-27-16-6-2-3-7-17(16)30-22/h2-3,6-11,14H,1,4-5,12-13H2,(H,26,29)/p+1