N-cyclopropyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-cyclopropyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-cyclopropyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-cyclopropyl-4-[(1,5-dimethyl-4-pyrazolyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-cyclopropyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-cyclopropyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carbothioamide Formula: C14H24N5S+ MolecularWeight: 294.43886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C[NH+]2CCN(CC2)C(=S)NC3CC3

Isomeric SMILES

CC1=C(C=NN1C)C[NH+]2CCN(CC2)C(=S)NC3CC3

InChI

InChI=1S/C14H23N5S/c1-11-12(9-15-17(11)2)10-18-5-7-19(8-6-18)14(20)16-13-3-4-13/h9,13H,3-8,10H2,1-2H3,(H,16,20)/p+1