N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]pyrazine-2-carboxamide

Systemtic Name: N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]pyrazine-2-carboxamide Openeye Name: N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]pyrazine-2-carboxamide CAS Name: N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]-2-pyrazinecarboxamide IUPAC Name: N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]pyrazine-2-carboxamide Traditional Name: N-[3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropyl]pyrazinamide Formula: C17H23N6O3S+ MolecularWeight: 391.46792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCCNC(=O)C3=NC=CN=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCCNC(=O)C3=NC=CN=C3

InChI

InChI=1S/C17H22N6O3S/c24-17(15-14-18-7-8-19-15)21-6-3-13-27(25,26)23-11-9-22(10-12-23)16-4-1-2-5-20-16/h1-2,4-5,7-8,14H,3,6,9-13H2,(H,21,24)/p+1