6-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]pyridine-3-carbothioamide

Systemtic Name: 6-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]pyridine-3-carbothioamide Openeye Name: 6-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]pyridine-3-carbothioamide CAS Name: 6-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-3-pyridinecarbothioamide IUPAC Name: 6-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]pyridine-3-carbothioamide Traditional Name: 6-[[(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=NC=C(C=C2)C(=S)N

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC2=NC=C(C=C2)C(=S)N

InChI

InChI=1S/C13H20N4S/c1-2-17-7-3-4-11(17)9-16-12-6-5-10(8-15-12)13(14)18/h5-6,8,11H,2-4,7,9H2,1H3,(H2,14,18)(H,15,16)/p+1/t11-/m0/s1