(3R)-1-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperidine-3-carboxamide

Systemtic Name: (3R)-1-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperidine-3-carboxamide Openeye Name: (3R)-1-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]piperidine-3-carboxamide CAS Name: (3R)-1-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperidine-3-carboxamide Traditional Name: (3R)-1-(5-piperidinosulfonylpyridin-1-ium-2-yl)nipecotamide Formula: C16H25N4O3S+ MolecularWeight: 353.4597

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCCC(C3)C(=O)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C16H24N4O3S/c17-16(21)13-5-4-8-19(12-13)15-7-6-14(11-18-15)24(22,23)20-9-2-1-3-10-20/h6-7,11,13H,1-5,8-10,12H2,(H2,17,21)/p+1/t13-/m1/s1