N-cyclopropyl-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-cyclopropyl-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-cyclopropyl-4-(2-pyridylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-cyclopropyl-4-(2-pyridinylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-cyclopropyl-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-cyclopropyl-4-(2-pyridylmethyl)piperazin-4-ium-1-carbothioamide Formula: C14H21N4S+ MolecularWeight: 277.40834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=S)N2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

C1CC1NC(=S)N2CC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C14H20N4S/c19-14(16-12-4-5-12)18-9-7-17(8-10-18)11-13-3-1-2-6-15-13/h1-3,6,12H,4-5,7-11H2,(H,16,19)/p+1