2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]pyridine-3-carbothioamide

Systemtic Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]pyridine-3-carbothioamide Openeye Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]pyridine-3-carbothioamide CAS Name: 2-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-3-pyridinecarbothioamide IUPAC Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]pyridine-3-carbothioamide Traditional Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]thionicotinamide Formula: C13H21N4S+ MolecularWeight: 265.39764

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC2=C(C=CC=N2)C(=S)N

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC2=C(C=CC=N2)C(=S)N

InChI

InChI=1S/C13H20N4S/c1-2-17-8-4-5-10(17)9-16-13-11(12(14)18)6-3-7-15-13/h3,6-7,10H,2,4-5,8-9H2,1H3,(H2,14,18)(H,15,16)/p+1/t10-/m0/s1