1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: 1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: 1-[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: 1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]isonipecotamide Formula: C16H27N5O3S+2 MolecularWeight: 369.48228

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC(CC3)C(=O)N

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C16H25N5O3S/c1-19-8-10-21(11-9-19)25(23,24)14-2-3-15(18-12-14)20-6-4-13(5-7-20)16(17)22/h2-3,12-13H,4-11H2,1H3,(H2,17,22)/p+2