(1-methyl-5-thiophen-2-yl-pyrazol-3-yl)-piperazin-4-ium-1-yl-methanone

Systemtic Name: (1-methyl-5-thiophen-2-yl-pyrazol-3-yl)-piperazin-4-ium-1-yl-methanone Openeye Name: [1-methyl-5-(2-thienyl)pyrazol-3-yl]-piperazin-4-ium-1-yl-methanone CAS Name: (1-methyl-5-thiophen-2-yl-3-pyrazolyl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (1-methyl-5-thiophen-2-ylpyrazol-3-yl)-piperazin-4-ium-1-ylmethanone Traditional Name: [1-methyl-5-(2-thienyl)pyrazol-3-yl]-piperazin-4-ium-1-yl-methanone Formula: C13H17N4OS+ MolecularWeight: 277.36528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(=O)N2CC[NH2+]CC2)C3=CC=CS3

Isomeric SMILES

CN1C(=CC(=N1)C(=O)N2CC[NH2+]CC2)C3=CC=CS3

InChI

InChI=1S/C13H16N4OS/c1-16-11(12-3-2-8-19-12)9-10(15-16)13(18)17-6-4-14-5-7-17/h2-3,8-9,14H,4-7H2,1H3/p+1