4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N-[(2S)-1-methoxypropan-2-yl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N-[(2S)-1-methoxypropan-2-yl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N-[(1S)-2-methoxy-1-methyl-ethyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]-N-[(2S)-1-methoxypropan-2-yl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N-[(2S)-1-methoxypropan-2-yl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N-[(1S)-2-methoxy-1-methyl-ethyl]piperazin-4-ium-1-carbothioamide Formula: C17H31N4OS+ MolecularWeight: 339.51924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=S)NC(C)COC)C

Isomeric SMILES

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=S)N[C@@H](C)COC)C

InChI

InChI=1S/C17H30N4OS/c1-14(13-22-4)18-17(23)20-10-7-19(8-11-20)9-12-21-15(2)5-6-16(21)3/h5-6,14H,7-13H2,1-4H3,(H,18,23)/p+1/t14-/m0/s1