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

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-benzyl-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-benzyl-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-benzyl-4-(4-cyanobenzyl)piperazin-4-ium-1-carbothioamide Formula: C20H23N4S+ MolecularWeight: 351.48842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4S/c21-14-17-6-8-19(9-7-17)16-23-10-12-24(13-11-23)20(25)22-15-18-4-2-1-3-5-18/h1-9H,10-13,15-16H2,(H,22,25)/p+1