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

Systemtic Name: N-butyl-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-butyl-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-butyl-4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-butyl-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-butyl-4-(4-cyanobenzyl)piperazin-4-ium-1-carbothioamide Formula: C17H25N4S+ MolecularWeight: 317.4722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4S/c1-2-3-8-19-17(22)21-11-9-20(10-12-21)14-16-6-4-15(13-18)5-7-16/h4-7H,2-3,8-12,14H2,1H3,(H,19,22)/p+1