N-(2-methylprop-2-enyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(2-methylprop-2-enyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(2-methylallyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-(2-methylprop-2-enyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-methylprop-2-enyl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2-methylallyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C14H21N4S+ MolecularWeight: 277.40834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)N1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

CC(=C)CNC(=S)N1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C14H20N4S/c1-12(2)11-16-14(19)18-9-7-17(8-10-18)13-5-3-4-6-15-13/h3-6H,1,7-11H2,2H3,(H,16,19)/p+1