1-[(1-methyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]piperazin-4-ium

Systemtic Name: 1-[(1-methyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]piperazin-4-ium Openeye Name: 1-[[1-methyl-3-(2-thienyl)pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-[(1-methyl-3-thiophen-2-yl-4-pyrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]piperazin-4-ium Traditional Name: 1-[[1-methyl-3-(2-thienyl)pyrazol-4-yl]methyl]piperazin-4-ium Formula: C13H19N4S+ MolecularWeight: 263.38176

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CS2)CN3CC[NH2+]CC3

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CS2)CN3CC[NH2+]CC3

InChI

InChI=1S/C13H18N4S/c1-16-9-11(10-17-6-4-14-5-7-17)13(15-16)12-3-2-8-18-12/h2-3,8-9,14H,4-7,10H2,1H3/p+1