2-chloranyl-9-cyclopentyl-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidin-1-yl]purin-6-amine

Systemtic Name: 2-chloranyl-9-cyclopentyl-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidin-1-yl]purin-6-amine Openeye Name: 2-chloro-9-cyclopentyl-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]-1-piperidyl]purin-6-amine CAS Name: 2-chloro-9-cyclopentyl-N-[4-[(1-methyl-1-piperidin-1-iumyl)methyl]-1-piperidinyl]-6-purinamine IUPAC Name: 2-chloro-9-cyclopentyl-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidin-1-yl]purin-6-amine Traditional Name: (2-chloro-9-cyclopentyl-purin-6-yl)-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidino]amine Formula: C22H35ClN7+ MolecularWeight: 433.0132

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)Cl

Isomeric SMILES

C[N+]1(CCCCC1)CC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)Cl

InChI

InChI=1S/C22H35ClN7/c1-30(13-5-2-6-14-30)15-17-9-11-28(12-10-17)27-20-19-21(26-22(23)25-20)29(16-24-19)18-7-3-4-8-18/h16-18H,2-15H2,1H3,(H,25,26,27)/q+1