(3S)-1-pyridin-1-ium-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-pyridin-1-ium-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-pyridin-1-ium-2-yl-N-(thiazol-2-ylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-(2-pyridin-1-iumyl)-N-(2-thiazolylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-pyridin-1-ium-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-pyridin-1-ium-2-yl-N-(thiazol-2-ylmethyl)nipecotamide Formula: C15H19N4OS+ MolecularWeight: 303.40256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC=CC=[NH+]2)C(=O)NCC3=NC=CS3

Isomeric SMILES

C1C[C@@H](CN(C1)C2=CC=CC=[NH+]2)C(=O)NCC3=NC=CS3

InChI

InChI=1S/C15H18N4OS/c20-15(18-10-14-17-7-9-21-14)12-4-3-8-19(11-12)13-5-1-2-6-16-13/h1-2,5-7,9,12H,3-4,8,10-11H2,(H,18,20)/p+1/t12-/m0/s1