9-[(5-methylfuran-2-yl)methyl]-N-[1-(2-pyridin-2-ylethyl)piperidin-1-ium-1-yl]purin-8-amine

Systemtic Name: 9-[(5-methylfuran-2-yl)methyl]-N-[1-(2-pyridin-2-ylethyl)piperidin-1-ium-1-yl]purin-8-amine Openeye Name: 9-[(5-methyl-2-furyl)methyl]-N-[1-[2-(2-pyridyl)ethyl]piperidin-1-ium-1-yl]purin-8-amine CAS Name: 9-[(5-methyl-2-furanyl)methyl]-N-[1-[2-(2-pyridinyl)ethyl]-1-piperidin-1-iumyl]-8-purinamine IUPAC Name: 9-[(5-methylfuran-2-yl)methyl]-N-[1-(2-pyridin-2-ylethyl)piperidin-1-ium-1-yl]purin-8-amine Traditional Name: [9-[(5-methyl-2-furyl)methyl]purin-8-yl]-[1-[2-(2-pyridyl)ethyl]piperidin-1-ium-1-yl]amine Formula: C23H28N7O+ MolecularWeight: 418.51472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN2C3=NC=NC=C3N=C2N[N+]4(CCCCC4)CCC5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(O1)CN2C3=NC=NC=C3N=C2N[N+]4(CCCCC4)CCC5=CC=CC=N5

InChI

InChI=1S/C23H28N7O/c1-18-8-9-20(31-18)16-29-22-21(15-24-17-26-22)27-23(29)28-30(12-5-2-6-13-30)14-10-19-7-3-4-11-25-19/h3-4,7-9,11,15,17H,2,5-6,10,12-14,16H2,1H3,(H,27,28)/q+1