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

Systemtic Name: N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]-1-benzofuran-2-carboxamide Openeye Name: N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]benzofuran-2-carboxamide CAS Name: N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]-2-benzofurancarboxamide IUPAC Name: N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]-1-benzofuran-2-carboxamide Traditional Name: N-[3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropyl]coumarilamide Formula: C21H25N4O4S+ MolecularWeight: 429.5126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCCNC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCCNC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H24N4O4S/c26-21(19-16-17-6-1-2-7-18(17)29-19)23-10-5-15-30(27,28)25-13-11-24(12-14-25)20-8-3-4-9-22-20/h1-4,6-9,16H,5,10-15H2,(H,23,26)/p+1