4-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4-cyanophenyl)methyl]-N-(2-furylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-(2-furanylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4-cyanobenzyl)-N-(2-furfuryl)piperazin-4-ium-1-carbothioamide Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=S)NCC3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C18H20N4OS/c19-12-15-3-5-16(6-4-15)14-21-7-9-22(10-8-21)18(24)20-13-17-2-1-11-23-17/h1-6,11H,7-10,13-14H2,(H,20,24)/p+1