[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C15H20N5O3S+ MolecularWeight: 350.416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O3S/c1-11-14(20(22)23)12(2)19(16-11)10-17-5-7-18(8-6-17)15(21)13-4-3-9-24-13/h3-4,9H,5-8,10H2,1-2H3/p+1