2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]benzenecarbothioamide

Systemtic Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]benzenecarbothioamide Openeye Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]benzenecarbothioamide CAS Name: 2-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]benzenecarbothioamide IUPAC Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]benzenecarbothioamide Traditional Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]thiobenzamide Formula: C14H22N3S+ MolecularWeight: 264.40958

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC2=CC=CC=C2C(=S)N

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC2=CC=CC=C2C(=S)N

InChI

InChI=1S/C14H21N3S/c1-2-17-9-5-6-11(17)10-16-13-8-4-3-7-12(13)14(15)18/h3-4,7-8,11,16H,2,5-6,9-10H2,1H3,(H2,15,18)/p+1/t11-/m0/s1