4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(1,3-dimethyl-4-pyrazolyl)methyl]-N-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C19H28N5S+ MolecularWeight: 358.52412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3)C

InChI

InChI=1S/C19H27N5S/c1-16-18(14-22(2)21-16)15-23-10-12-24(13-11-23)19(25)20-9-8-17-6-4-3-5-7-17/h3-7,14H,8-13,15H2,1-2H3,(H,20,25)/p+1