1-(1-methylpiperidin-1-ium-4-yl)-5-[3-(phenylmethyl)imidazol-4-yl]-2H-imidazo[4,5-c]pyrazole

Systemtic Name: 1-(1-methylpiperidin-1-ium-4-yl)-5-[3-(phenylmethyl)imidazol-4-yl]-2H-imidazo[4,5-c]pyrazole Openeye Name: 5-(3-benzylimidazol-4-yl)-1-(1-methylpiperidin-1-ium-4-yl)-2H-imidazo[4,5-c]pyrazole CAS Name: 1-(1-methyl-4-piperidin-1-iumyl)-5-[3-(phenylmethyl)-4-imidazolyl]-2H-imidazo[4,5-c]pyrazole IUPAC Name: 5-(3-benzylimidazol-4-yl)-1-(1-methylpiperidin-1-ium-4-yl)-2H-imidazo[4,5-c]pyrazole Traditional Name: 5-(3-benzylimidazol-4-yl)-1-(1-methylpiperidin-1-ium-4-yl)-2H-imidazo[4,5-c]pyrazole Formula: C20H24N7+ MolecularWeight: 362.45146

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2C3=NC(=NC3=CN2)C4=CN=CN4CC5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCC(CC1)N2C3=NC(=NC3=CN2)C4=CN=CN4CC5=CC=CC=C5

InChI

InChI=1S/C20H23N7/c1-25-9-7-16(8-10-25)27-20-17(11-22-27)23-19(24-20)18-12-21-14-26(18)13-15-5-3-2-4-6-15/h2-6,11-12,14,16,22H,7-10,13H2,1H3/p+1