[1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-3-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C15H22BrN6O+ MolecularWeight: 382.27878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)N3CC[NH+](CC3)C)C)Br

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)N3CC[NH+](CC3)C)C)Br

InChI

InChI=1S/C15H21BrN6O/c1-11-14(16)12(2)22(17-11)10-21-5-4-13(18-21)15(23)20-8-6-19(3)7-9-20/h4-5H,6-10H2,1-3H3/p+1