N-(2-chlorophenyl)-4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-chlorophenyl)-4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-chlorophenyl)-4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(2-chlorophenyl)-4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-chlorophenyl)-4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-chlorophenyl)-4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carbothioamide Formula: C18H22ClN4S+ MolecularWeight: 361.91208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=NC=C2)C(=S)NC3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=NC=C2)C(=S)NC3=CC=CC=C3Cl

InChI

InChI=1S/C18H21ClN4S/c19-16-3-1-2-4-17(16)21-18(24)23-13-11-22(12-14-23)10-7-15-5-8-20-9-6-15/h1-6,8-9H,7,10-14H2,(H,21,24)/p+1