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

Systemtic Name: 5-bromanyl-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]furan-2-carboxamide CAS Name: 5-bromo-N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropyl]-2-furamide Formula: C17H22BrN4O4S+ MolecularWeight: 458.34998

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN4O4S/c18-15-6-5-14(26-15)17(23)20-8-3-13-27(24,25)22-11-9-21(10-12-22)16-4-1-2-7-19-16/h1-2,4-7H,3,8-13H2,(H,20,23)/p+1