4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide Formula: C20H37N5OS+2 MolecularWeight: 395.60568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=S)NCCC[NH+]3CCOCC3)C

Isomeric SMILES

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=S)NCCC[NH+]3CCOCC3)C

InChI

InChI=1S/C20H35N5OS/c1-18-4-5-19(2)25(18)13-10-23-8-11-24(12-9-23)20(27)21-6-3-7-22-14-16-26-17-15-22/h4-5H,3,6-17H2,1-2H3,(H,21,27)/p+2