[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: [5-[(3,5-dimethyl-1-pyrazolyl)methyl]-1H-pyrazol-3-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C16H25N6O+ MolecularWeight: 317.4093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC(=NN2)C(=O)N3CCC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC(=NN2)C(=O)N3CCC[NH+](CC3)C)C

InChI

InChI=1S/C16H24N6O/c1-12-9-13(2)22(19-12)11-14-10-15(18-17-14)16(23)21-6-4-5-20(3)7-8-21/h9-10H,4-8,11H2,1-3H3,(H,17,18)/p+1