1-ethylsulfonyl-N-(pyridin-1-ium-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: 1-ethylsulfonyl-N-(pyridin-1-ium-2-ylmethyl)piperidine-3-carboxamide Openeye Name: 1-ethylsulfonyl-N-(pyridin-1-ium-2-ylmethyl)piperidine-3-carboxamide CAS Name: 1-ethylsulfonyl-N-(2-pyridin-1-iumylmethyl)-3-piperidinecarboxamide IUPAC Name: 1-ethylsulfonyl-N-(pyridin-1-ium-2-ylmethyl)piperidine-3-carboxamide Traditional Name: 1-esyl-N-(pyridin-1-ium-2-ylmethyl)nipecotamide Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCCC(C1)C(=O)NCC2=CC=CC=[NH+]2

Isomeric SMILES

CCS(=O)(=O)N1CCCC(C1)C(=O)NCC2=CC=CC=[NH+]2

InChI

InChI=1S/C14H21N3O3S/c1-2-21(19,20)17-9-5-6-12(11-17)14(18)16-10-13-7-3-4-8-15-13/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,16,18)/p+1