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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4S/c1-16-8-12(7-15-16)11-6-13(18-10-11)9-17-4-2-14-3-5-17/h6-8,10,14H,2-5,9H2,1H3/p+1