2-[[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]carbothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]carbothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(4-cyanobenzyl)piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethyl-ammonium Formula: C17H27N5S+2 MolecularWeight: 333.49478

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N1CC[NH+](CC1)CC2=CC=C(C=C2)C#N

Isomeric SMILES

C[NH+](C)CCNC(=S)N1CC[NH+](CC1)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H25N5S/c1-20(2)8-7-19-17(23)22-11-9-21(10-12-22)14-16-5-3-15(13-18)4-6-16/h3-6H,7-12,14H2,1-2H3,(H,19,23)/p+2