diethyl-[2-[[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]carbothioylamino]ethyl]azanium

Systemtic Name: diethyl-[2-[[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]carbothioylamino]ethyl]azanium Openeye Name: diethyl-[2-[[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carbothioyl]amino]ethyl]ammonium CAS Name: diethyl-[2-[[[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-carbothioyl]amino]ethyl]azanium Traditional Name: diethyl-[2-[[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carbothioyl]amino]ethyl]ammonium Formula: C18H33N5S+2 MolecularWeight: 351.55312

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=S)N1CC[NH+](CC1)CCC2=CC=NC=C2

Isomeric SMILES

CC[NH+](CC)CCNC(=S)N1CC[NH+](CC1)CCC2=CC=NC=C2

InChI

InChI=1S/C18H31N5S/c1-3-21(4-2)12-10-20-18(24)23-15-13-22(14-16-23)11-7-17-5-8-19-9-6-17/h5-6,8-9H,3-4,7,10-16H2,1-2H3,(H,20,24)/p+2