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

Systemtic Name: N-(2-chlorophenyl)-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-chlorophenyl)-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(2-chlorophenyl)-4-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-chlorophenyl)-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-chlorophenyl)-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carbothioamide Formula: C19H26ClN4S+ MolecularWeight: 377.95454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3Cl)C

InChI

InChI=1S/C19H25ClN4S/c1-15-7-8-16(2)24(15)14-11-22-9-12-23(13-10-22)19(25)21-18-6-4-3-5-17(18)20/h3-8H,9-14H2,1-2H3,(H,21,25)/p+1