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

Systemtic Name: N-cyclopropyl-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-cyclopropyl-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: N-cyclopropyl-4-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-cyclopropyl-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-cyclopropyl-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carbothioamide Formula: C16H27N4S+ MolecularWeight: 307.47738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=S)NC3CC3)C

Isomeric SMILES

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=S)NC3CC3)C

InChI

InChI=1S/C16H26N4S/c1-13-3-4-14(2)20(13)12-9-18-7-10-19(11-8-18)16(21)17-15-5-6-15/h3-4,15H,5-12H2,1-2H3,(H,17,21)/p+1