(3S)-1-methylsulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-methylsulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-3-carboxamide Openeye Name: (3S)-1-methylsulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-3-carboxamide CAS Name: (3S)-1-methylsulfonyl-N-[3-(1-pyrrolidin-1-iumyl)propyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-methylsulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-3-carboxamide Traditional Name: (3S)-1-mesyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)nipecotamide Formula: C14H28N3O3S+ MolecularWeight: 318.45542

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NCCC[NH+]2CCCC2

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)C(=O)NCCC[NH+]2CCCC2

InChI

InChI=1S/C14H27N3O3S/c1-21(19,20)17-11-4-6-13(12-17)14(18)15-7-5-10-16-8-2-3-9-16/h13H,2-12H2,1H3,(H,15,18)/p+1/t13-/m0/s1