N-[3,5-bis(chloranyl)phenyl]-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3,5-dichlorophenyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3,5-dichlorophenyl)-4-(pyridin-4-ylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3,5-dichlorophenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3,5-dichlorophenyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carbothioamide Formula: C17H19Cl2N4S+ MolecularWeight: 382.33056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=S)NC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=S)NC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C17H18Cl2N4S/c18-14-9-15(19)11-16(10-14)21-17(24)23-7-5-22(6-8-23)12-13-1-3-20-4-2-13/h1-4,9-11H,5-8,12H2,(H,21,24)/p+1