5-[1-(azepan-1-ium-1-yl)-2-methyl-propan-2-yl]-1-methyl-2H-imidazo[4,5-c]pyrazole

Systemtic Name: 5-[1-(azepan-1-ium-1-yl)-2-methyl-propan-2-yl]-1-methyl-2H-imidazo[4,5-c]pyrazole Openeye Name: 5-[2-(azepan-1-ium-1-yl)-1,1-dimethyl-ethyl]-1-methyl-2H-imidazo[4,5-c]pyrazole CAS Name: 5-[1-(1-azepan-1-iumyl)-2-methylpropan-2-yl]-1-methyl-2H-imidazo[4,5-c]pyrazole IUPAC Name: 5-[1-(azepan-1-ium-1-yl)-2-methylpropan-2-yl]-1-methyl-2H-imidazo[4,5-c]pyrazole Traditional Name: 5-[2-(azepan-1-ium-1-yl)-1,1-dimethyl-ethyl]-1-methyl-2H-imidazo[4,5-c]pyrazole Formula: C15H26N5+ MolecularWeight: 276.40044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCCCCC1)C2=NC3=CNN(C3=N2)C

Isomeric SMILES

CC(C)(C[NH+]1CCCCCC1)C2=NC3=CNN(C3=N2)C

InChI

InChI=1S/C15H25N5/c1-15(2,11-20-8-6-4-5-7-9-20)14-17-12-10-16-19(3)13(12)18-14/h10,16H,4-9,11H2,1-3H3/p+1