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

Systemtic Name: 4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N-pyridin-2-yl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N-(2-pyridyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]-N-(2-pyridinyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N-pyridin-2-ylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N-(2-pyridyl)piperazin-4-ium-1-carbothioamide Formula: C18H26N5S+ MolecularWeight: 344.49754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=S)NC3=CC=CC=N3)C

Isomeric SMILES

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=S)NC3=CC=CC=N3)C

InChI

InChI=1S/C18H25N5S/c1-15-6-7-16(2)23(15)14-11-21-9-12-22(13-10-21)18(24)20-17-5-3-4-8-19-17/h3-8H,9-14H2,1-2H3,(H,19,20,24)/p+1