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

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4-cyanophenyl)methyl]-N-propyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4-cyanophenyl)methyl]-N-propylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(4-cyanobenzyl)-N-propyl-piperazin-4-ium-1-carbothioamide Formula: C16H23N4S+ MolecularWeight: 303.44562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4S/c1-2-7-18-16(21)20-10-8-19(9-11-20)13-15-5-3-14(12-17)4-6-15/h3-6H,2,7-11,13H2,1H3,(H,18,21)/p+1