6-oxidanylidene-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide

Systemtic Name: 6-oxidanylidene-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide Openeye Name: 6-oxo-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide CAS Name: 6-oxo-N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]-1H-pyridine-3-carboxamide IUPAC Name: 6-oxo-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide Traditional Name: 6-keto-N-[3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropyl]-1H-pyridine-3-carboxamide Formula: C18H24N5O4S+ MolecularWeight: 406.47926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O4S/c24-17-6-5-15(14-21-17)18(25)20-8-3-13-28(26,27)23-11-9-22(10-12-23)16-4-1-2-7-19-16/h1-2,4-7,14H,3,8-13H2,(H,20,25)(H,21,24)/p+1