diethyl-[3-[[4-(phenylmethyl)piperazin-4-ium-1-yl]carbothioylamino]propyl]azanium

Systemtic Name: diethyl-[3-[[4-(phenylmethyl)piperazin-4-ium-1-yl]carbothioylamino]propyl]azanium Openeye Name: 3-[(4-benzylpiperazin-4-ium-1-carbothioyl)amino]propyl-diethyl-ammonium CAS Name: diethyl-[3-[[[4-(phenylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: 3-[(4-benzylpiperazin-4-ium-1-carbothioyl)amino]propyl-diethylazanium Traditional Name: 3-[(4-benzylpiperazin-4-ium-1-carbothioyl)amino]propyl-diethyl-ammonium Formula: C19H34N4S+2 MolecularWeight: 350.56506

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=S)N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)CCCNC(=S)N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C19H32N4S/c1-3-21(4-2)12-8-11-20-19(24)23-15-13-22(14-16-23)17-18-9-6-5-7-10-18/h5-7,9-10H,3-4,8,11-17H2,1-2H3,(H,20,24)/p+2