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

Systemtic Name: (3R)-1-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperidine-3-carboxamide Openeye Name: (3R)-1-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperidine-3-carboxamide CAS Name: (3R)-1-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperidine-3-carboxamide Traditional Name: (3R)-1-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)nipecotamide Formula: C15H23N4O3S+ MolecularWeight: 339.43312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCCC(C3)C(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C15H22N4O3S/c16-15(20)12-4-3-7-18(11-12)14-6-5-13(10-17-14)23(21,22)19-8-1-2-9-19/h5-6,10,12H,1-4,7-9,11H2,(H2,16,20)/p+1/t12-/m1/s1