(5-tert-butyl-2-methyl-4-nitro-pyrazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (5-tert-butyl-2-methyl-4-nitro-pyrazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (5-tert-butyl-2-methyl-4-nitro-pyrazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (5-tert-butyl-2-methyl-4-nitro-3-pyrazolyl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (5-tert-butyl-2-methyl-4-nitropyrazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (5-tert-butyl-2-methyl-4-nitro-pyrazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C14H24N5O3+ MolecularWeight: 310.37206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])C(=O)N2CC[NH+](CC2)C)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])C(=O)N2CC[NH+](CC2)C)C

InChI

InChI=1S/C14H23N5O3/c1-14(2,3)12-10(19(21)22)11(17(5)15-12)13(20)18-8-6-16(4)7-9-18/h6-9H2,1-5H3/p+1