9-ethyl-N-(3-nitrophenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-yl)purin-6-amine

Systemtic Name: 9-ethyl-N-(3-nitrophenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-yl)purin-6-amine Openeye Name: 9-ethyl-N-(3-nitrophenyl)-2-(4-piperidin-1-ium-1-yl-1-piperidyl)purin-6-amine CAS Name: 9-ethyl-N-(3-nitrophenyl)-2-[4-(1-piperidin-1-iumyl)-1-piperidinyl]-6-purinamine IUPAC Name: 9-ethyl-N-(3-nitrophenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-yl)purin-6-amine Traditional Name: [9-ethyl-2-(4-piperidin-1-ium-1-ylpiperidino)purin-6-yl]-(3-nitrophenyl)amine Formula: C23H31N8O2+ MolecularWeight: 451.54464

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])N4CCC(CC4)[NH+]5CCCCC5

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])N4CCC(CC4)[NH+]5CCCCC5

InChI

InChI=1S/C23H30N8O2/c1-2-28-16-24-20-21(25-17-7-6-8-19(15-17)31(32)33)26-23(27-22(20)28)30-13-9-18(10-14-30)29-11-4-3-5-12-29/h6-8,15-16,18H,2-5,9-14H2,1H3,(H,25,26,27)/p+1