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

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-cyclopropyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4-cyanophenyl)methyl]-N-cyclopropyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-cyclopropyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4-cyanophenyl)methyl]-N-cyclopropylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(4-cyanobenzyl)-N-cyclopropyl-piperazin-4-ium-1-carbothioamide Formula: C16H21N4S+ MolecularWeight: 301.42974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=S)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC1NC(=S)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H20N4S/c17-11-13-1-3-14(4-2-13)12-19-7-9-20(10-8-19)16(21)18-15-5-6-15/h1-4,15H,5-10,12H2,(H,18,21)/p+1