1-(1-methylpiperidin-1-ium-4-yl)-5-[5-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]-2H-imidazo[4,5-c]pyrazole

Systemtic Name: 1-(1-methylpiperidin-1-ium-4-yl)-5-[5-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]-2H-imidazo[4,5-c]pyrazole Openeye Name: 1-(1-methylpiperidin-1-ium-4-yl)-5-[5-(piperidin-1-ium-1-ylmethyl)-2-thienyl]-2H-imidazo[4,5-c]pyrazole CAS Name: 1-(1-methyl-4-piperidin-1-iumyl)-5-[5-(1-piperidin-1-iumylmethyl)-2-thiophenyl]-2H-imidazo[4,5-c]pyrazole IUPAC Name: 1-(1-methylpiperidin-1-ium-4-yl)-5-[5-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]-2H-imidazo[4,5-c]pyrazole Traditional Name: 1-(1-methylpiperidin-1-ium-4-yl)-5-[5-(piperidin-1-ium-1-ylmethyl)-2-thienyl]-2H-imidazo[4,5-c]pyrazole Formula: C20H30N6S+2 MolecularWeight: 386.5574

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2C3=NC(=NC3=CN2)C4=CC=C(S4)C[NH+]5CCCCC5

Isomeric SMILES

C[NH+]1CCC(CC1)N2C3=NC(=NC3=CN2)C4=CC=C(S4)C[NH+]5CCCCC5

InChI

InChI=1S/C20H28N6S/c1-24-11-7-15(8-12-24)26-20-17(13-21-26)22-19(23-20)18-6-5-16(27-18)14-25-9-3-2-4-10-25/h5-6,13,15,21H,2-4,7-12,14H2,1H3/p+2