N-(2-chloranyl-4,6-dimethyl-phenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-4-(pyridin-4-ylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carbothioamide Formula: C19H24ClN4S+ MolecularWeight: 375.93866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CC[NH+](CC2)CC3=CC=NC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CC[NH+](CC2)CC3=CC=NC=C3)C

InChI

InChI=1S/C19H23ClN4S/c1-14-11-15(2)18(17(20)12-14)22-19(25)24-9-7-23(8-10-24)13-16-3-5-21-6-4-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,25)/p+1