N-cyclopropyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-cyclopropyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-cyclopropyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-cyclopropyl-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-cyclopropyl-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-cyclopropyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C13H19N4S+ MolecularWeight: 263.38176

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CC1NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C13H18N4S/c18-13(15-11-4-5-11)17-9-7-16(8-10-17)12-3-1-2-6-14-12/h1-3,6,11H,4-5,7-10H2,(H,15,18)/p+1