4-[(4-cyanophenyl)methyl]-N-ethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-ethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4-cyanophenyl)methyl]-N-ethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-ethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4-cyanophenyl)methyl]-N-ethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(4-cyanobenzyl)-N-ethyl-piperazin-4-ium-1-carbothioamide Formula: C15H21N4S+ MolecularWeight: 289.41904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4S/c1-2-17-15(20)19-9-7-18(8-10-19)12-14-5-3-13(11-16)4-6-14/h3-6H,2,7-10,12H2,1H3,(H,17,20)/p+1