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

Systemtic Name: 5-nitro-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]furan-2-carboxamide Openeye Name: 5-nitro-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]furan-2-carboxamide CAS Name: 5-nitro-N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]-2-furancarboxamide IUPAC Name: 5-nitro-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]furan-2-carboxamide Traditional Name: 5-nitro-N-[3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropyl]-2-furamide Formula: C17H22N5O6S+ MolecularWeight: 424.45148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCCNC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCCNC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O6S/c23-17(14-5-6-16(28-14)22(24)25)19-8-3-13-29(26,27)21-11-9-20(10-12-21)15-4-1-2-7-18-15/h1-2,4-7H,3,8-13H2,(H,19,23)/p+1