4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]benzenecarbothioamide

Systemtic Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]benzenecarbothioamide Openeye Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]benzenecarbothioamide CAS Name: 4-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]benzenecarbothioamide IUPAC Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]benzenecarbothioamide Traditional Name: 4-[[(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=C(C=C2)C(=S)N

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3S/c1-2-17-9-3-4-13(17)10-16-12-7-5-11(6-8-12)14(15)18/h5-8,13,16H,2-4,9-10H2,1H3,(H2,15,18)/p+1/t13-/m0/s1