N-cyclopropyl-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-cyclopropyl-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-cyclopropyl-4-(3-pyridylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-cyclopropyl-4-(3-pyridinylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-cyclopropyl-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-cyclopropyl-4-(3-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=CN=CC=C3

Isomeric SMILES

C1CC1NC(=S)N2CC[NH+](CC2)CC3=CN=CC=C3

InChI

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