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

Systemtic Name: 4-(2-pyridin-2-ylethyl)-N-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-(2-pyridyl)ethyl]-N-(2-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-(2-pyridinyl)ethyl]-N-(thiophen-2-ylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(2-pyridin-2-ylethyl)-N-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-(2-pyridyl)ethyl]-N-(2-thenyl)piperazin-4-ium-1-carbothioamide Formula: C17H23N4S2+ MolecularWeight: 347.52132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=N2)C(=S)NCC3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=N2)C(=S)NCC3=CC=CS3

InChI

InChI=1S/C17H22N4S2/c22-17(19-14-16-5-3-13-23-16)21-11-9-20(10-12-21)8-6-15-4-1-2-7-18-15/h1-5,7,13H,6,8-12,14H2,(H,19,22)/p+1